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. 128071-75-0 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 128071-75-0
Chemical Structure| 128071-75-0
Structure of 128071-75-0 * 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 [ 128071-75-0 ]

Related Doc. of [ 128071-75-0 ]

Alternatived Products of [ 128071-75-0 ]
Product Citations

Product Details of [ 128071-75-0 ]

CAS No. :128071-75-0 MDL No. :MFCD04966945
Formula : C6H4BrNO Boiling Point : -
Linear Structure Formula :- InChI Key :GNFWMEFWZWXLIN-UHFFFAOYSA-N
M.W : 186.01 Pubchem ID :4714951
Synonyms :
Chemical Name :2-Bromonicotinaldehyde

Calculated chemistry of [ 128071-75-0 ]      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 : 37.32
TPSA : 29.96 ?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) : -6.48 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.39
Log Po/w (XLOGP3) : 1.34
Log Po/w (WLOGP) : 1.66
Log Po/w (MLOGP) : 0.56
Log Po/w (SILICOS-IT) : 2.2
Consensus Log Po/w : 1.43

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.26
Solubility : 1.01 mg/ml ; 0.00544 mol/l
Class : Soluble
Log S (Ali) : -1.57
Solubility : 5.0 mg/ml ; 0.0269 mol/l
Class : Very soluble
Log S (SILICOS-IT) : -2.83
Solubility : 0.278 mg/ml ; 0.00149 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 2.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.46

Safety of [ 128071-75-0 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P280-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H317-H319 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 128071-75-0 ]

* 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 [ 128071-75-0 ]

[ 128071-75-0 ] Synthesis Path-Downstream   1~8

  • 1
  • [ 128071-75-0 ]
  • [ 253-72-5 ]
  • 2
  • [ 5754-35-8 ]
  • [ 128071-75-0 ]
  • [ 332881-75-1 ]
YieldReaction ConditionsOperation in experiment
With sodium hydroxide; sodium tris(acetoxy)borohydride; In acetic acid; 1,2-dichloro-ethane; Step A N-((2-Bromo(3-pyridyl))methyl)-<strong>[5754-35-8]2-(1,3-dioxolan-2-yl)ethylamine</strong> To a solution of 2-bromopyridine-3-carbaldehyde (3.53 g, 19.0 mmol, 1.0 eq) (Melnyk et al., Synthetic Commun. 23(19):2727-2730, 1993) in 1,2-dichloroethane (50 mL) was added <strong>[5754-35-8]2-(1,3-dioxolan-2-yl)ethylamine</strong> (TCI-GR, 2.67 g, 22.8 mmol, 1.2 eq), sodium triacetoxyborohydride (Aldrich, 1.61 g, 76 mmol, 4.0 eq) and glacial acetic acid (1.14 g, 19 mmol, 1.0 eq). The reaction mixture was stirred under nitrogen at room temperature for 2 h. The reaction was quenched with 1.0 N aqueous NaOH to about pH 8 and the solution was extracted with EtOAc (200 mL*3). The organic extracts were washed with saturated NaCl, dried with MgSO4, filtered and concentrated. Flash column chromatography (silica gel, 0-10% EtOAc-Hexane) afforded the title compound as a colorless oil. MS m/z 377 (Br=79, M+H), 379 (Br=81, M+H).
  • 3
  • [ 128071-75-0 ]
  • [ 57497-39-9 ]
  • [ 1271303-93-5 ]
YieldReaction ConditionsOperation in experiment
76% With sodium sulfate; triethylamine; In tetrahydrofuran; at 80℃; for 3h;Microwave irradiation; General procedure: In a 20 mL glass tube equipped with septa, the aldehyde, dry Na2SO4 (2.81 equiv) and triethylamine (2 equiv) were suspended in dry THF. Then, the hydroxylamine hydrochloride (2 equiv) was added. The mixture was stirred for 30 s, and then exposed to MWI (250 W) at 80 °C during the time indicated for each compound. When the reaction was over (TLC analysis), the reaction mixture was diluted with water, extracted with CH2Cl2, dried over anhydrous sodium sulphate, filtered and the solvent was evaporated. The resultant solid was purified by column chromatography to give pure compounds.
  • 4
  • [ 15016-42-9 ]
  • [ 128071-75-0 ]
  • [ 1279109-73-7 ]
  • 5
  • [ 15016-42-9 ]
  • [ 128071-75-0 ]
  • [ 1279109-75-9 ]
  • 6
  • [ 128071-75-0 ]
  • [ 458532-98-4 ]
  • [ 1228267-38-6 ]
YieldReaction ConditionsOperation in experiment
60% With potassium carbonate;tetrakis(triphenylphosphine) palladium(0); In tetrahydrofuran; water; for 5h;Reflux; After 2-bromo-3-formyl-pyridine (1.86 g, 10 mmol) and <strong>[458532-98-4]3-chloro-4-pyridylboronic acid</strong> (1.57 g, 10 mmol) were dissolved in tetrahydrofuran (THF) (30 mL), 2M potassium carbonate aqueous solution (20 mL) was added thereto, and tetrakistriphenylphosphino palladium (Pd(PPh3)4 (231 mg, 2 mol%) was put thereinto, agitated and refluxed for 5 hours. The temperature was lowered to normal temperature, the water layer was removed, and the organic layer was dried with anhydrous magnesium sulfate and filtered. The filtered solution was concentrated under the reduced pressure to prepare the compound A-39 (1.31 g, 60%). MS: [M+H]+=219
  • 7
  • [ 1293-65-8 ]
  • [ 128071-75-0 ]
  • C16H13Br2FeNO [ No CAS ]
  • 8
  • [ 15666-97-4 ]
  • [ 128071-75-0 ]
  • octyl 7-amino-8-cyanoquinoline-6-carboxylate [ No CAS ]
  • C19H23N3O2 [ No CAS ]
Recommend Products
Same Skeleton Products

Technical Information

Historical Records

Related Functional Groups of
[ 128071-75-0 ]

Bromides

Chemical Structure| 84199-61-1

[ 84199-61-1 ]

3-Acetyl-2-bromopyridine

Similarity: 0.85

Chemical Structure| 885167-81-7

[ 885167-81-7 ]

6-Bromo-5-methylnicotinaldehyde

Similarity: 0.83

Chemical Structure| 55304-83-1

[ 55304-83-1 ]

2,6-Dibromonicotinaldehyde

Similarity: 0.82

Chemical Structure| 35905-85-2

[ 35905-85-2 ]

2-Bromonicotinic acid

Similarity: 0.81

Chemical Structure| 3430-17-9

[ 3430-17-9 ]

2-Bromo-3-methylpyridine

Similarity: 0.81

Aldehydes

Chemical Structure| 885167-81-7

[ 885167-81-7 ]

6-Bromo-5-methylnicotinaldehyde

Similarity: 0.83

Chemical Structure| 55304-83-1

[ 55304-83-1 ]

2,6-Dibromonicotinaldehyde

Similarity: 0.82

Chemical Structure| 118289-17-1

[ 118289-17-1 ]

2-Bromopyridine-4-carboxaldehyde

Similarity: 0.80

Chemical Structure| 500-22-1

[ 500-22-1 ]

Nicotinaldehyde

Similarity: 0.74

Chemical Structure| 926294-07-7

[ 926294-07-7 ]

6-Bromo-4-methylnicotinaldehyde

Similarity: 0.71

Related Parent Nucleus of
[ 128071-75-0 ]

Pyridines

Chemical Structure| 84199-61-1

[ 84199-61-1 ]

3-Acetyl-2-bromopyridine

Similarity: 0.85

Chemical Structure| 885167-81-7

[ 885167-81-7 ]

6-Bromo-5-methylnicotinaldehyde

Similarity: 0.83

Chemical Structure| 55304-83-1

[ 55304-83-1 ]

2,6-Dibromonicotinaldehyde

Similarity: 0.82

Chemical Structure| 35905-85-2

[ 35905-85-2 ]

2-Bromonicotinic acid

Similarity: 0.81

Chemical Structure| 3430-17-9

[ 3430-17-9 ]

2-Bromo-3-methylpyridine

Similarity: 0.81

; ;