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Quality Control of [ 446-52-6 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

Alternatived Products of [ 446-52-6 ]

Product Citations Expand+

Structure Activity Relationship (SAR) Studies of 1, 2-Diarylethylamines as N-Methyl-D-Aspartate Receptor Antagonists

Michael B. Dybek ; Saint Joseph's University,2023.

Abstract: Memantine, an N-methyl-D-aspartate receptor (NMDAR) antagonist is FDA approved for the treatment of moderate to severe Alzheimer disease. The efficacy is believed to stem from its ability to block/mitigate excitotoxicity that stems from excessive glutamatergic activation/transmission and is thus neuroprotective. However, they display tolerability issues that hinder their ability to be utilized as neuroprotective agents. Previous studies from our lab suggest that the compounds that function as uncompetitive NMDAR antagonists and have moderate affinity to the NMDAR demonstrate the best tolerability. This observation has prompted investigations for novel neuroprotective NMDAR antagonists with improved efficacy and tolerability. Our lead compounds phencyclidine (PCP) and analogs have demonstrated the ability to protect hippocampal neurons from NMDA insult in vitro. Our studies explored synthesizing and evaluating both arylalkylamines and 1,2-diarylethylamines. A total of 76 target compounds were synthesized as part of this exploration. In vitro competitive radio-ligand binding assays were conducted for each compound to determine affinities to NMDAR in rat forebrain homogenate. Several of these compounds demonstrated binding affinities within a previously defined target range (400 nM – 2,100 nM). This range was previously determined to provide the highest tolerability for uncompetitive NMDAR antagonists. 34 compounds were further evaluated to obtain binding affinities on 44 other relevant central nervous system targets. This SAR investigation has uncovered several intriguing polypharmacological profiles have emerged, including potent affinities to NMDAR, dopamine transporter (DAT), norepinephrine transporter (NET), and serotonin transporter (SERT).

Purchased from AmBeed: 456-48-4 ; 446-52-6 ; 459-57-4 ; 34645-25-5

Selective and Cell-Active PBRM1 Bromodomain Inhibitors Discovered through NMR Fragment Screening

Shifali Shishodia ; Raymundo Nu?ez ; Brayden P. Strohmier , et al. J. Med. Chem.,2022,65(20):13714-13735. DOI: 10.1021/acs.jmedchem.2c00864 PubMed ID: 36227159

Abstract: PBRM1 is a subunit of the PBAF chromatin

Purchased 2 mM. Structure–activity relationship studies on the tightest-binding hit resulted in nanomolar inhibitors with selectivity for PBRM1 over SMARCA2 and SMARCA4. These chemical probes inhibit the association of full-length PBRM1 to acetylated histone peptides and selectively inhibit growth of a PBRM1-dependent prostate cancer cell line.

from AmBeed: class="">77326-36-4 ; class="">104-87-0 ; class="">2148-56-3 ; class="">63329-53-3 ; class="">1591-37-3 ; class="">387-45-1 ; class="">936-08-3 ; class="">1123-56-4 ; class="">2819989-75-6 ; class="">703-80-0 ; class="">1885-29-6 ; class="">115643-59-9 ; class="">15764-16-6 ; class="">487-68-3 ; class="span_more span_less">145737-61-7 ; class="span_more span_less">5779-95-3 ; class="span_more span_less">88-68-6 ; class="span_more span_less">6575-11-7 ; class="span_more span_less">77326-62-6 ; class="span_more span_less">88-65-3 ; class="span_more span_less">4635-59-0 ; class="span_more span_less">5779-94-2 ; class="span_more span_less">56043-01-7 ; class="span_more span_less">5779-93-1 ; class="span_more span_less">1591-38-4 ; class="span_more span_less">446-52-6 ; class="span_more span_less">62803-47-8 ; class="span_more span_less">1885-31-0 ; class="span_more span_less">620-23-5 ; class="span_more span_less">54166-95-9 ; class="span_more span_less">22179-72-2 ; class="span_more span_less">529-20-4 ; class="span_more span_less">100-52-7 ; class="span_more span_less">123-11-5 ; class="span_more span_less">1711-06-4 ; class="span_more span_less">454-89-7 ; class="span_more span_less">170875-01-1 ; class="span_more span_less">883032-29-9 ; class="span_more span_less">2819989-61-0 ; class="span_more span_less">1915012-21-3 ; class="span_more span_less">2819989-58-5 ; class="span_more span_less">2819989-60-9 ; class="span_more span_less">2819989-57-4 ; class="span_more span_less">2819989-68-7 ; class="span_more span_less">2819989-67-6 ; class="span_more span_less">111478-13-8 ; class="span_more span_less">73096-42-1 ; class="span_more span_less">2835-78-1 ; class="span_more span_less">118-92-3 ; class="span_more span_less">22458-07-7 ; class="span_more span_less">80258-99-7 ; class="span_more span_less">24782-64-7 ; class="span_more span_less">1108790-90-4 ; class="span_more span_less">175204-03-2 ; class="span_more span_less">97-96-1 ; class="span_more span_less">780802-33-7 ; class="span_more span_less">89-98-5 class="keywords_more email-color more_span" onclick="change_span_more(this)">...More

Nitrothiazole-Thiazolidinone Hybrids: Synthesis and in Vitro Antimicrobial Evaluation

Dylan Hart ; Lesetja J. Legoabe ; Omobolanle J. Jesumoroti , et al. Chem. Biodivers.,2022,19(11):e202200729. DOI: 10.1002/cbdv.202200729 PubMed ID: 36102043

Abstract: Herein we report the synthesis of novel compounds inspired by the antimicrobial activities of nitroazole and thiazolidin-4-one based compounds reported in the literature. Target compounds were investigated in?vitro for antitubercular, antibacterial, antifungal, and overt cell toxicity properties. All compounds exhibited potent antitubercular activity. Most compounds exhibited low micromolar activity against S. aureus and C. albicans with no overt cell toxicity against HEK-293 cells nor haemolysis against human red blood cells. Notably, compound 3b exhibited low to sub-micromolar activities against Mtb, MRSA, and C. albicans. 3b showed superior activity (0.25?μg/ml) against MRSA compared to vancomycin (1?μg/ml).

Purchased from AmBeed: 613-45-6 ; 121-66-4 ; 587-04-2 ; 104-87-0 ; 552-89-6 ; 456-48-4 ; 830-79-5 ; 555-16-8 ; 104-88-1 ; 591-31-1 ; 3132-99-8 ; 446-52-6 ; 459-57-4 ; 529-20-4 ; 6287-38-3 ; 123-08-0 ; 100-52-7 ; 349121-09-1 ; 89-98-5 ...More

Product Details of [ 446-52-6 ]

CAS No. :	446-52-6	MDL No. :	MFCD00003302
Formula :	C₇H₅FO	Boiling Point :	-
Linear Structure Formula :	(COH)C₆H₄F	InChI Key :	ZWDVQMVZZYIAHO-UHFFFAOYSA-N
M.W :	124.11	Pubchem ID :	67970
Synonyms :

Calculated chemistry of [ 446-52-6 ] Expand+

Physicochemical Properties

Num. heavy atoms :	9
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.0
Num. rotatable bonds :	1
Num. H-bond acceptors :	2.0
Num. H-bond donors :	0.0
Molar Refractivity :	31.79
TPSA :	17.07 ?2

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-5.78 cm/s

Lipophilicity

Log Po/w (iLOGP) :	1.52
Log Po/w (XLOGP3) :	1.8
Log Po/w (WLOGP) :	2.06
Log Po/w (MLOGP) :	1.88
Log Po/w (SILICOS-IT) :	2.42
Consensus Log Po/w :	1.94

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	2.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-2.17
Solubility :	0.838 mg/ml ; 0.00675 mol/l
Class :	Soluble
Log S (Ali) :	-1.78
Solubility :	2.07 mg/ml ; 0.0167 mol/l
Class :	Very soluble
Log S (SILICOS-IT) :	-2.58
Solubility :	0.326 mg/ml ; 0.00262 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.0

Safety of [ 446-52-6 ]

Signal Word:	Danger	Class:	3
Precautionary Statements:	P501-P240-P210-P233-P243-P241-P242-P264-P280-P370+P378-P337+P313-P305+P351+P338-P362+P364-P303+P361+P353-P332+P313-P403+P235	UN#:	1989
Hazard Statements:	H225-H315-H319	Packing Group:	Ⅲ
GHS Pictogram:

Application In Synthesis of [ 446-52-6 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Upstream synthesis route of [ 446-52-6 ]
Downstream synthetic route of [ 446-52-6 ]

[ 446-52-6 ] Synthesis Path-Upstream 1~5

1
[ 1765-93-1 ]
[ 446-52-6 ]
[ 342-25-6 ]

Yield	Reaction Conditions	Operation in experiment
98%	With potassium phosphate; palladium diacetate In water; methyl cyclohexane for 8 h; Reflux	Method of the present embodiment provides a 2,4 ′-difluorobenzophenone and preparation method thereof, as follows: in a 1000 ml round bottom flask The bottle was added sequentially o-fluoro benzaldehyde 124 g of 4-fluorophenylboronic acid and 140 g of potassium phosphate, 106 grams, 1.12 g of palladium acetate, then adding 500 ml of methyl cyclohexane and 100 ml of water and heated to reflux for 8 hours., sequentially passes through filtering, layering, washing with water, removing the solvent to obtain the product., 2,4 '-difluorobenzophenone 214 g, 98percent yield.

Reference： [1] Patent: CN104230691, 2016, B, . Location in patent: Paragraph 0028-0029

2
[ 67-56-1 ]
[ 1816-92-8 ]
[ 446-52-6 ]
[ 113162-36-0 ]

Reference： [1] Canadian Journal of Chemistry, 2007, vol. 85, # 4, p. 283 - 292

3
[ 1816-92-8 ]
[ 446-52-6 ]
[ 113162-36-0 ]

Reference： [1] Nucleosides, Nucleotides and Nucleic Acids, 2007, vol. 26, # 8-9, p. 869 - 871

4
[ 93777-26-5 ]
[ 446-52-6 ]
[ 374538-01-9 ]

Reference： [1] Tetrahedron, 2002, vol. 58, # 9, p. 1657 - 1666

5
[ 446-52-6 ]
[ 1323140-60-8 ]

Reference： [1] European Journal of Medicinal Chemistry, 2015, vol. 99, # 1, p. 82 - 91

[ 446-52-6 ] Synthesis Path-Downstream 1~13

1
[ 110-89-4 ]
[ 446-52-6 ]
[ 34595-26-1 ]

Yield	Reaction Conditions	Operation in experiment
92%	With potassium carbonate; In DMF (N,N-dimethyl-formamide); at 130℃; for 3h;	To a solution of the aldehyde 3a (20 g, 161.1 mmol) in dry DMF (160 ml), piperidine(19.1 ml, 193.4 mmol, 1.2 eq) and potassium carbonate (26.73 g, 193.4 mmol, 1.2eq) were successively added. The suspension was heated at 130C for 3 h. Thereaction mixture was then poured into cold water and. acidified with citric acid up to ,pH 5. The aqueous layer was extracted 3X with EtOAc and the combined organicextract was successively washed with water, saturated NaHCO3 and brine. Afterdrying the organic extract over MgSO4, filtration and concentration, the desired 2-piperidinobenzaldehyde 3b was isolated as a red oil (28.23 g, 92% yield).
92.1%	With potassium carbonate; In N,N-dimethyl-formamide; for 15h;Reflux;	62.0 g (0.5 mol, 1.0 eq) of o-fluorobenzaldehyde, 200 g of N,N-dimethylformamide, 138.2 g (1.0 mol, 2.0 eq) of potassium carbonate, and 63.9 g (0.75 mol, 1.5 eq) of piperidine were placed in the reaction flask. The mixture was heated to reflux for 15 hours, and the completion of the reaction was monitored by TLC. The reaction mixture was poured into ice water and extracted with methyl t-butyl ether. The organic layer was combined and concentrated under reduced pressure to give 87.1 g of a yellow oil. HPLC purity 95.3%. The yield was 92.1%.
90.5%	With potassium carbonate; In DMF (N,N-dimethyl-formamide); for 6h;Heating / reflux;	EXAMPLE 1 Preparation of o-piperidino benzaldehyde (8) [0033] A mixture of o-fluorobenzaldehyde (1.24 gm, 10 mmol), potassium carbonate (2.76 gm, 20 mmol), and piperidine (1.7 gm, 20 mmol) was refluxed in dry DMF for 6 hrs. After the completion of reaction DMF was distilled out at vaccum and 5 ml of water was added to the residue and extracted the product with ethyl acetate (10 ml×2). Organic layer was dried over sodium sulphate and evaporated the solvent to afford 1.8 gm of product (8) (90.5%) [0034] 1HNMR CDCl3 (Spectrum 9): 1.68(m, 6H), 3.05(m, 4H), 7.05(m, 2H), 7.45(dd, 1H), 7.75(dd, 1H).

	With potassium carbonate; In N,N-dimethyl-formamide;Reflux;	General procedure: To a solution of 2-fluorobenzaldehyde (4.96 g, 40 mmol) and K2CO3 (6.36 g, 46 mmol) in DMF (40 mL) was added piperidine (4.56 mL, 46 mmol). The resulting reaction mixture was heated under reflux until complete consumption of 2-fluorobenzaldehyde. The reaction mixture was allowed to cool to room temperature, diluted with water, and extracted with ethyl acetate. The combined organic extracts were washed with a saturated NH4C1 solution and concentrated under reduced pressure. The product 2-(piperidin-1-yl)benzaldehyde was utilized for next step without purification.
1.72 g	With potassium carbonate; In N,N-dimethyl-formamide; at 110 - 150℃; for 23h;	(1) A suspension of the Compound 1 (1.05 mE), the Compound 2 (1.09 mE), and potassium carbonate (2.76 g) in N,N-dimethylformamide (10 mE) was stirred at 1100 C. for 5 hours, and stirred at 1500 C. for 18 hours. The reaction mixture was allowed to cool to room temperature, and then water and ethyl acetate were added thereto, and the resulting mixture was stirred, and extracted with ethyl acetate. The resulting organic layers were washed with water and saturated brine, dried, and concentrated under reduced pressure. The resulting residues were purified by silica gel column chromatography (hexane:ethyl acetate=99: 1 to 88:12) to give the Compound 3 (1.72 g) as a yellow liquid. MS (APCI): mlz 190 [M+H]
1.72 g	With potassium carbonate; In N,N-dimethyl-formamide; at 110 - 150℃; for 23h;	(1) Compound 1 (1.05 mL), Compound 2 (1.09 mL)And potassium carbonate (2.76 g)Of N, N-dimethylformamide (10 mL)The suspension was heated at 110 C. for 5 hours,And the mixture was stirred at 150 C. for 18 hours.The reaction mixture was allowed to cool to room temperature,Water and ethyl acetate were added and stirred,And extracted with ethyl acetate.The organic layer was washed with water and saturated brine,Drying,And concentrated under reduced pressure.The residue was purified by silica gel column chromatographyLomagraphy (hexane: ethyl acetate = 99: 1 to 88: 12)To obtain Compound 3 (1.72 g)As a yellow liquid.

Reference： [1]Angewandte Chemie - International Edition,2012,vol. 51,p. 1950 - 1953
[2]Heterocycles,2008,vol. 75,p. 799 - 838
[3]Patent: WO2004/108673,2004,A2 .Location in patent: Page 38-39
[4]Patent: CN109970681,2019,A .Location in patent: Paragraph 0043-0045
[5]Patent: US2004/192921,2004,A1 .Location in patent: Page 4
[6]Russian Chemical Bulletin,2004,vol. 53,p. 1240 - 1247
[7]Chemistry of Heterocyclic Compounds,2007,vol. 43,p. 76 - 81
[8]Organic Letters,2019,vol. 21,p. 8290 - 8294
[9]Synthesis,2010,p. 4287 - 4299
[10]Journal of Organic Chemistry,2019,vol. 84,p. 9671 - 9683
[11]Journal of Organic Chemistry,1989,vol. 54,p. 199 - 209
[12]Patent: WO2004/101540,2004,A2 .Location in patent: Page/Page column 11-13
[13]Journal of Organic Chemistry,2009,vol. 74,p. 7464 - 7469
[14]Chemical Communications,2010,vol. 46,p. 6593 - 6595
[15]Journal of Organic Chemistry,2011,vol. 76,p. 342 - 345
[16]Chinese Chemical Letters,2012,vol. 23,p. 395 - 398
[17]Tetrahedron,2013,vol. 69,p. 7019 - 7025
[18]Dalton Transactions,2014,vol. 43,p. 9098 - 9110
[19]Chemistry - A European Journal,2015,vol. 21,p. 1632 - 1636
[20]Journal of Organic Chemistry,2014,vol. 79,p. 10434 - 10446
[21]Organic Letters,2017,vol. 19,p. 1566 - 1569
[22]Patent: US2018/258076,2018,A1 .Location in patent: Paragraph 0496
[23]Patent: JP2018/199673,2018,A .Location in patent: Paragraph 0170
[24]Organic Letters,2019,vol. 21,p. 3990 - 3993
[25]Tetrahedron,2019,vol. 75

2
[ 326-62-5 ]
[ 446-52-6 ]
1-cyano-1,2-di(2-fluorophenyl)ethene [ No CAS ]

Reference： [1]Journal of Chemical Research, Miniprint,1989,p. 1872 - 1892

3
[ 446-52-6 ]
[ 326-62-5 ]

Reference： [1]Tetrahedron Letters,2003,vol. 44,p. 5707 - 5710

4
[ 446-52-6 ]
nPrMgHal [ No CAS ]
[ 6134-53-8 ]

Reference： [1]Journal of Organic Chemistry,1998,vol. 63,p. 432 - 433

5
[ 70298-89-4 ]
[ 446-52-6 ]
[ 136227-19-5 ]

Yield	Reaction Conditions	Operation in experiment
	With n-butyllithium; In tetrahydrofuran; hexane; dichloromethane; water; ethyl acetate;	EXAMPLE 4 alpha-(2-Fluorophenyl)-4-(2,2-dimethylpropionamido)-3-pyridinylmethanol To a cooled solution of 2,2-dimethyl-N-(4-pyridinyl)propanamide (15g) in 250 ml tetrahydrofuran was slowly added n-butyllithium (2.5 M in hexane, 108 ml) at such a rate that the internal temperature was maintained between -10° and -5°. After one hour a solution of 2-fluorobenzaldehyde (21 g) in 25 ml tetrahydrofuran was slowly added. After one hour the reaction mixture was stirred with water and extracted with ether. The organic extract was washed with water and a saturated sodium chloride solution, dried (anhy. MgSO4), filtered and evaporated to 30 g of an oil. This was purified by flash chromatography (silica, 20percent ethyl acetate in dichloromethane) to yield 11 g of the product as a solid, mp 178-180°. Four grams were recrystallized from acetonitrile to yield 3.7 g crystals, mp 180-182°.

Reference： [1]Patent: EP435222,1991,A2

6
[ 619-60-3 ]
[ 446-52-6 ]
[ 1184923-65-6 ]

Yield	Reaction Conditions	Operation in experiment
79%	With potassium carbonate; In N,N-dimethyl-formamide; at 150℃; for 1.5h;Schlenk technique; Inert atmosphere;	The benzaldehyde intermediates are synthesized following literature procedures with modifications. Into a dry Schlenk flask under argon atmosphere the corresponding phenol (17.7 mmol), 2-fluorobenzaldehyde (2.0 g, 16.1 mmol), potas- sium carbonate (5.6 g, 40.3 mmol) and anhydrous DMF (40 ml_) are added at room temperature. The mixture is warmed in a sealed flask to 170°C and stirred at this temperature for 2 h (for preparing 2-phenoxy-benzaldehyde and 2-(4- chlorophenoxy)benzaldehyde) or at 150°C for 1 .5 h (for preparing 2-(4- (dimethylamino)phenoxy)benzaldehyde). Then the mixture is allowed to cool to room temperature and is treated with water (200 ml_) and the product is extracted with diethyl ether (3^50 ml_). The combined organic layers are washed with NaOH (1 M, 50 ml_), brine (150 ml_), dried over anhydrous MgSO4 and evaporated in vacuum. The residue is purified by column chromatography (cyclohex- ane/ethyl acetate 10:1 , v/v (for preparing 2-phenoxy-benzaldehyde and 2-(4- chlorophenoxy)benzaldehyde) or used in next reaction without purification (in case of 2-(4-(dimethylamino)phenoxy)-benzaldehyde).
79%	With potassium carbonate; In N,N-dimethyl-formamide; at 150℃; for 1.5h;Schlenk technique; Inert atmosphere; Sealed tube;	The benzaldehyde intermediates are synthesized following literature procedures with modifications. Into a dry Schlenk flask under argon atmosphere the corresponding phenol (17.7 mmol), 2-fluorobenzaldehyde (2.0 g, 16.1 mmol), potassium carbonate (5.6 g, 40.3 mmol) and anhydrous DMF (40 mL) are added at room temperature. The mixture is warmed in a sealed flask to 170°C and stirred at this temperature for 2 h (for preparing 2-phenoxy-benzaldehyde and 2-(4-chlorophenoxy)benzaldehyde) or at 150°C for 1.5 h (for preparing 2-(4-(dimethylamino)phenoxy)benzaldehyde). Then the mixture is allowed to cool to room temperature and is treated with water (200 mL) and the product is extracted with diethyl ether (3×50 mL). The combined organic layers are washed with NaOH (1 M, 50 mL), brine (150 mL), dried over anhydrous MgS04 and evaporated in vacuum. The residue is purified by column chromatography (cyclohexane/ethyl acetate 10:1, v/v (for preparing 2-phenoxy-benzaldehyde and 2-(4-chlorophenoxy)benzaldehyde) or used in next reaction without purification (in case of 2-(4-(dimethylamino)phenoxy)-benzaldehyde). [0076] 2-(4-(dimethylamino)phenoxy)benzaldehyde is obtained as a white solid (3.07 g, 79percent yield). 1H NMR (300 MHz, CDCl3) delta 10.59 (d, J = 0.8 Hz, 1 H), 7.90 (dd, J = 7.8, 1.8 Hz, 1 H), 7.44 (ddd, J = 8.5, 7.3, 1.8 Hz, 1 H), 7.12 - 7.05 (m, 1 H), 7.03 - 6.97 (m, 2H), 6.84 - 6.74 (m, 3H), 2.96 (s, 6H). [0077] 13C NMR (75 MHz, CDCl3) delta 189.85, 161.75, 148.14, 145.47, 135.76, 128.33, 126.05, 122.23, 121.25, 116.90, 114.18, 41.34.

Reference： [1]Advanced Synthesis and Catalysis,2013,vol. 355,p. 439 - 447
[2]Patent: WO2014/67767,2014,A1 .Location in patent: Page/Page column 23
[3]Patent: EP2725030,2014,A1 .Location in patent: Paragraph 0075-0077
[4]Journal of Organic Chemistry,2009,vol. 74,p. 6797 - 6801

7
[ 20101-92-2 ]
[ 446-52-6 ]
[ 1407496-48-3 ]

Reference： [1]Journal of Medicinal Chemistry,2012,vol. 55,p. 9973 - 9987

8
[ 5676-56-2 ]
[ 446-52-6 ]
C₁₅H₉BrFNO [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With N-benzyl-N,N,N-triethylammonium chloride; sodium hydroxide; In dichloromethane; water;Inert atmosphere;	General procedure: The SBOs were prepared by the base-catalysed condensation of the appropriate 5-halogeno-2-methylbenzoxazole with the requisite aromatic aldehyde under phase transfer conditions. In a typical experiment, equimolar quantities (5 mmol) of the starting materials were dissolved in dichloromethane (20-50 ml) in the presence of benzyltriethylammonium chloride (3 mmol) and stirred magnetically under a nitrogen atmosphere as an aqueous solution of sodium hydroxide (50%, w/v, 5 ml) was added dropwise over a period of 10 min. After being stirred for 2-36 h until analytical thin layer chromatography indicated that the reaction was complete, the mixture was diluted with water (50 ml) and the SBO was extracted with dichloromethane (3×20 ml), dried (MgSO4), filtered, evaporated under reduced pressure and recrystallized from aqueous methanol or ethanol.

Reference： [1]International Journal of Mass Spectrometry,2013,vol. 345-347,p. 120 - 131

9
[ 446-52-6 ]
[ 20223-87-4 ]
[ 1446741-69-0 ]

Reference： [1]Organic Letters,2013,vol. 15,p. 3794 - 3797

10
[ 39549-79-6 ]
[ 446-52-6 ]
2-(2-fluorophenyl)-7-methylquinazolin-4(3H)-one [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
55%	With sodium hydrogensulfite; In N,N-dimethyl acetamide; at 150℃;	General procedure: Sodium hydrogen sulfite (4 mmol) was added to a solution of anthranilamide 1 (2 mmol) and benzaldehyde 2 (2 mmol) in N,N- dimethylacetamide (5 mL). The mixture was heated under continuous stirring at 150 o C for 2-3 h and poured into ice water. The precipitate was then filtered, washed with water followed byethanol, and dried to yield the 2-arylquinazolinones 3-31.#10;#10;

Reference： [1]European Journal of Medicinal Chemistry,2015,vol. 103,p. 69 - 79

11
[ 1765-93-1 ]
[ 446-52-6 ]
[ 342-25-6 ]

Yield	Reaction Conditions	Operation in experiment
98%	With potassium phosphate; palladium diacetate; In water; methyl cyclohexane; for 8h;Reflux;	Method of the present embodiment provides a 2,4 ?-difluorobenzophenone and preparation method thereof, as follows: in a 1000 ml round bottom flask The bottle was added sequentially o-fluoro benzaldehyde 124 g of 4-fluorophenylboronic acid and 140 g of potassium phosphate, 106 grams, 1.12 g of palladium acetate, then adding 500 ml of methyl cyclohexane and 100 ml of water and heated to reflux for 8 hours., sequentially passes through filtering, layering, washing with water, removing the solvent to obtain the product., 2,4 '-difluorobenzophenone 214 g, 98percent yield.

Reference： [1]Patent: CN104230691,2016,B .Location in patent: Paragraph 0028-0029

12
[ 446-52-6 ]
[ 13214-64-7 ]
4-(2-fluorobenzylidene)-2-(4-methoxyphenyl)-1,3-oxazol-5(4H)-one [ No CAS ]

Reference： [1]Journal of Heterocyclic Chemistry,2017,vol. 54,p. 1904 - 1924

13
[ 1986-47-6 ]
[ 446-52-6 ]
(1S*,2R*)-N-(2-fluorobenzyl)-2-phenylcyclopropan-1-amine [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
29%		General procedure: Trans-2-phenylcyclopropylamine hydrochloride (1.0 eq.), acetic acid (1.0eq.) and the appropriate aldehyde (0.9 eq.) were dissolved in around bottom flask in 10 mL dry DCE. The reaction mixture was stirred gently at room temperature for 2 h before sodium triacetoxyborohydride (3.0 eq.) was added in small portions to the reaction vessel. The reaction was monitored by TLC and quenched using 10 mL of an aqueous (5%) NaHCO3 solution. The organic layer was separated and the aqueous layer extracted three times with10 mL of DCE. All organic layers were combined, dried over anhydrous Na2SO4, concentrated in vacuo and purified using flash chromatography (silica gel; cyclohexane/ethyl acetate) to give the desired compound.

Reference： [1]European Journal of Medicinal Chemistry,2018,vol. 144,p. 52 - 67

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? Alkyl Halide Occurrence ? Barbier Coupling Reaction ? Baylis-Hillman Reaction ? Benzylic Oxidation ? Birch Reduction ? Blanc Chloromethylation ? Bucherer-Bergs Reaction ? Clemmensen Reduction ? Complex Metal Hydride Reductions ? Corey-Chaykovsky Reaction ? Corey-Fuchs Reaction ? Fischer Indole Synthesis ? Friedel-Crafts Reaction ? Grignard Reaction ? Hantzsch Dihydropyridine Synthesis ? Henry Nitroaldol Reaction ? Horner-Wadsworth-Emmons Reaction ? Hydride Reductions ? Hydrogenolysis of Benzyl Ether ? Julia-Kocienski Olefination ? Knoevenagel Condensation ? Leuckart-Wallach Reaction ? McMurry Coupling ? Meerwein-Ponndorf-Verley Reduction ? Mukaiyama Aldol Reaction ? Nozaki-Hiyama-Kishi Reaction ? Passerini Reaction ? Paternò-Büchi Reaction ? Petasis Reaction ? Pictet-Spengler Tetrahydroisoquinoline Synthesis ? Preparation of Aldehydes and Ketones ? Preparation of Alkylbenzene ? Preparation of Amines ? Prins Reaction ? Reactions of Aldehydes and Ketones ? Reactions of Amines ? Reactions of Benzene and Substituted Benzenes ? Reformatsky Reaction ? Schlosser Modification of the Wittig Reaction ? Schmidt Reaction ? Stetter Reaction ? Stobbe Condensation ? Tebbe Olefination ? Ugi Reaction ? Vilsmeier-Haack Reaction ? Wittig Reaction ? Wolff-Kishner Reduction

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[ 446-52-6 ] Synthesis Path-Upstream 1~5

[ 446-52-6 ] Synthesis Path-Downstream 1~13

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Fluorinated Building Blocks

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