天堂网亚洲,天天操天天搞,91视频高清,菠萝蜜视频在线观看入口,美女视频性感美女视频,95丝袜美女视频国产,超高清美女视频图片

Home Cart 0 Sign in  

[ CAS No. 100367-39-3 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 100367-39-3
Chemical Structure| 100367-39-3
Structure of 100367-39-3 * Storage: {[proInfo.prStorage]}

Please Login or Create an Account to: See VIP prices and availability

Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Search after Editing

* Storage: {[proInfo.prStorage]}

* Shipping: {[proInfo.prShipping]}

Quality Control of [ 100367-39-3 ]

Related Doc. of [ 100367-39-3 ]

Alternatived Products of [ 100367-39-3 ]
Product Citations

Product Citations

Grace L. Trammel ; Prashansa B. Kannangara ; Dmytro Vasko , et al. DOI: PubMed ID:

Abstract: Two catalytic systems have been developed for the arylboration of endocyclic enecarbamates to deliver synthetically versatile borylated saturated Nheterocycles in good regio- and diastereoselectivities. A Cu/Pd dual catalytic reaction enables the synthesis of borylated, α-arylated azetidines, while a Ni-catalysed arylboration reaction efficiently functionalizes 5-, 6-, and 7-membered enecarbamates. In the case of the Cu/Pdsystem, a remarkable additive effect was identified that allowed for broader scope. The products are synthetically useful, as demonstrated by manipulations of the boronic ester to access biologically active compounds.

Keywords: Alkene ; Arylation ; Boron ; Cross Coupling ; Heterocycle

Purchased from AmBeed: ; ; ;

Product Details of [ 100367-39-3 ]

CAS No. :100367-39-3 MDL No. :MFCD08277268
Formula : C6H6BrNO Boiling Point : -
Linear Structure Formula :- InChI Key :YFTGMMXMLPTTAY-UHFFFAOYSA-N
M.W : 188.02 Pubchem ID :14062309
Synonyms :

Calculated chemistry of [ 100367-39-3 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 9
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.17
Num. rotatable bonds : 1
Num. H-bond acceptors : 2.0
Num. H-bond donors : 0.0
Molar Refractivity : 38.43
TPSA : 22.12 ?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) : -5.98 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.82
Log Po/w (XLOGP3) : 2.06
Log Po/w (WLOGP) : 1.85
Log Po/w (MLOGP) : 1.33
Log Po/w (SILICOS-IT) : 2.04
Consensus Log Po/w : 1.82

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.55

Water Solubility

Log S (ESOL) : -2.73
Solubility : 0.349 mg/ml ; 0.00186 mol/l
Class : Soluble
Log S (Ali) : -2.15
Solubility : 1.32 mg/ml ; 0.00702 mol/l
Class : Soluble
Log S (SILICOS-IT) : -3.01
Solubility : 0.185 mg/ml ; 0.000986 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.73

Safety of [ 100367-39-3 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 100367-39-3 ]

* 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.

  • Downstream synthetic route of [ 100367-39-3 ]

[ 100367-39-3 ] Synthesis Path-Downstream   1~3

  • 1
  • [ 100367-39-3 ]
  • [ 219735-99-6 ]
  • [ 1613401-79-8 ]
YieldReaction ConditionsOperation in experiment
95% With potassium carbonate; In dimethyl sulfoxide; a) 4-(2-Chloro-4-methoxyphenyl)-2-methoxypyridine A mixture of 4-bromo-2-methoxypyridine (1.20 g, 6.38 mmol), <strong>[219735-99-6]2-chloro-4-methoxyphenylboronic acid</strong> (2.38 g, 12.8 mmol), and potassium carbonate (2.65 g, 19.1 mmol) in anhydrous DMSO (12 mL) was degassed for several minutes with argon. Dichloro[1,1'-bis(diphenylphosphino)ferrocene]palladium(II) dichloromethane adduct (261 mg, 0.32 mmol) was added and, after degassing briefly with argon again, the flask was sealed, and the reaction was heated to 90 C. and stirred for 2 h. After cooling to rt, the reaction mixture was diluted with ethyl acetate, washed with 5% lithium chloride solution (4*), dried over sodium sulfate, filtered, and concentrated. Flash chromatography (80 g ISCO Gold column, 2%-20% ethyl acetate/hexanes) provided the title compound (1.51 g, 95%) as a white solid: 1H NMR (500 MHz, CDCl3) delta 8.19 (d, J=5.0 Hz, 1H), 7.24 (d, J=8.5 Hz, 1H), 7.02 (d, J=2.0 Hz, 1H), 6.96 (d, J=5.0 Hz, 1H), 6.88 (dd, J=8.3, 2.3 Hz, 1H), 6.08 (s, 1H), 3.98 (s, 3H), 3.84 (s, 3H); ESI MS m/z 250 [M+H]+.
  • 2
  • [ 100367-39-3 ]
  • [ 1211534-25-6 ]
YieldReaction ConditionsOperation in experiment
86% With N-chloro-succinimide; In N,N-dimethyl-formamide; at 20℃; To a solution of II (2.00 g, 10.6 mmol) in DMF (21 mL) was added NCS (2.98 g, 22.3 mmol). The reaction mixture was stirred at rt overnight. The reaction mixture was quenched with water, diluted with EtOAc, and the layers were separated. The aqueous layer was extracted with EtOAc and the combined organic extracts were washed with brine, dried over MgS04, and concentrated. The crude product was purified by silica chromatography to provide 1J (2.15 g, 9.18 mmol, 86percent yield) as a white solid. LC-MS Anal. Calc'd for C6H5BrClNO: 220.92, found [M+H] 223.8. 1H NMR (400 MHz, CDC13) delta 8.15 (s, 1H), 7.05 (s, 1H), 3.91 (s, 3H).
  • 3
  • [ 100367-39-3 ]
  • [ 151169-74-3 ]
  • 4-(2,3-dichlorophenyl)-2-methoxypyridine [ No CAS ]
YieldReaction ConditionsOperation in experiment
78.9% With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium carbonate; In dimethyl sulfoxide; at 95℃; To a solution of compound 1 (2.0g, leq) in DMSO were added compound 2 (1 g, leq), PdC idppf) (0.77 g, O.leq) and K2C03(2.9g, 2eq). The mixture was stirred at 95 C overnight. The reaction was quenched by water, and worked up under standard procedure. The residue was purified by flash column chromatography to give the title compound (2.1 g, yield: 78.9%).
Recommend Products
Same Skeleton Products

Technical Information

Historical Records

Related Functional Groups of
[ 100367-39-3 ]

Bromides

Chemical Structure| 57883-26-8

[ 57883-26-8 ]

4-Bromo-2-ethoxypyridine

Similarity: 0.96

Chemical Structure| 1289131-55-0

[ 1289131-55-0 ]

4-Bromo-2-(2-methoxyethoxy)pyridine

Similarity: 0.94

Chemical Structure| 1142194-24-8

[ 1142194-24-8 ]

4-Bromo-2-isopropoxypyridine

Similarity: 0.91

Chemical Structure| 112197-12-3

[ 112197-12-3 ]

4-Bromo-2-methoxy-3-methylpyridine

Similarity: 0.89

Chemical Structure| 13472-85-0

[ 13472-85-0 ]

5-Bromo-2-methoxypyridine

Similarity: 0.87

Ethers

Chemical Structure| 57883-26-8

[ 57883-26-8 ]

4-Bromo-2-ethoxypyridine

Similarity: 0.96

Chemical Structure| 1289131-55-0

[ 1289131-55-0 ]

4-Bromo-2-(2-methoxyethoxy)pyridine

Similarity: 0.94

Chemical Structure| 1142194-24-8

[ 1142194-24-8 ]

4-Bromo-2-isopropoxypyridine

Similarity: 0.91

Chemical Structure| 112197-12-3

[ 112197-12-3 ]

4-Bromo-2-methoxy-3-methylpyridine

Similarity: 0.89

Chemical Structure| 13472-85-0

[ 13472-85-0 ]

5-Bromo-2-methoxypyridine

Similarity: 0.87

Related Parent Nucleus of
[ 100367-39-3 ]

Pyridines

Chemical Structure| 57883-26-8

[ 57883-26-8 ]

4-Bromo-2-ethoxypyridine

Similarity: 0.96

Chemical Structure| 1289131-55-0

[ 1289131-55-0 ]

4-Bromo-2-(2-methoxyethoxy)pyridine

Similarity: 0.94

Chemical Structure| 1142194-24-8

[ 1142194-24-8 ]

4-Bromo-2-isopropoxypyridine

Similarity: 0.91

Chemical Structure| 112197-12-3

[ 112197-12-3 ]

4-Bromo-2-methoxy-3-methylpyridine

Similarity: 0.89

Chemical Structure| 13472-85-0

[ 13472-85-0 ]

5-Bromo-2-methoxypyridine

Similarity: 0.87

; ;