ChemicalBook--->CAS DataBase List--->83393-46-8

83393-46-8

83393-46-8 Structure

83393-46-8 Structure
IdentificationBack Directory
[Name]

Ethanone, 1-(1H-pyrrolo[2,3-b]pyridin-3-yl)- (9CI)
[CAS]

83393-46-8
[Synonyms]

3-ACETYL-7(1H)-AZAINDOLE
3-Acetyl-1H-pyrrolo[2,3-b]pyridine
1-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
Ethanone, 1-(1H-pyrrolo[2,3-b]pyridin-3-yl)-
Ethanone, 1-(1H-pyrrolo[2,3-b]pyridin-3-yl)- (9CI)
[Molecular Formula]

C9H8N2O
[MDL Number]

MFCD09743457
[MOL File]

83393-46-8.mol
[Molecular Weight]

160.173
Chemical PropertiesBack Directory
[Melting point ]

202-206°C
[Boiling point ]

399.5±42.0 °C(Predicted)
[density ]

1.26±0.1 g/cm3(Predicted)
[storage temp. ]

2-8°C
[form ]

solid
[pka]

5.94±0.20(Predicted)
[Appearance]

Light yellow to yellow Solid
[InChI]

1S/C9H8N2O/c1-6(12)8-5-11-9-7(8)3-2-4-10-9/h2-5H,1H3,(H,10,11)
[InChIKey]

OGMZQWPOZWMDQS-UHFFFAOYSA-N
[SMILES]

CC(=O)c1c[nH]c2ncccc12
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H317-H319-H335
[Precautionary statements ]

P261-P280-P305+P351+P338
[Hazard Codes ]

Xn
[Risk Statements ]

22-36/37/38-43
[Safety Statements ]

26-36/37
[WGK Germany ]

3
[HS Code ]

29339900
[Storage Class]

11 - Combustible Solids
[Hazard Classifications]

Acute Tox. 4 Oral
Eye Irrit. 2
Skin Irrit. 2
Skin Sens. 1
STOT SE 3
Hazard InformationBack Directory
[Chemical Properties]

Solid
[Uses]

1-(1H-Pyrrolo[2,3-b]pyridin-3-yl)ethanone is an intermediate used in the preparation of vemurafenib, a kinase inhibitor for the treatment of BRAF-mutated melanoma and in other clinical studies.
[Synthesis]

7-Azaindole

271-63-6

Acetyl chloride

75-36-5

Ethanone, 1-(1H-pyrrolo[2,3-b]pyridin-3-yl)- (9CI)

83393-46-8

General procedure for the synthesis of 3-acetyl-7(1H)-azaindole from 7-azaindole and acetyl chloride: 7-azaindole (0.59 g, 5 mmol) was dissolved in 80 mL of dichloromethane, aluminum trichloride (3.39 g, 25 mmol) was added, followed by a slow dropwise addition of acetyl chloride (3.4 mL, 47.8 mmol). The reaction mixture was stirred at room temperature for 10 hours. Upon completion of the reaction, the reaction solution was placed in an ice bath and 20 mL of methanol was slowly added to quench the reaction. The reaction mixture was concentrated and 30 mL of water was added to the residue and the pH was adjusted with 1 N aqueous sodium hydroxide to about 4. The reaction solution was extracted with ethyl acetate (15 mL x 3), and the organic phases were combined, washed with saturated brine (20 mL x 2) and dried over anhydrous sodium sulfate. After filtration and concentration, the residue was purified by column chromatography (eluent: petroleum ether/ethyl acetate=1:1, v/v) to give 0.72 g of a pale yellow solid in 90% yield.

[References]

[1] Journal of Organic Chemistry, 2002, vol. 67, # 17, p. 6226 - 6227
[2] Patent: CN103508930, 2016, B. Location in patent: Paragraph 0296-0299
[3] Patent: CN104817490, 2017, B. Location in patent: Paragraph 0188; 0189
[4] Patent: US2007/112020, 2007, A1. Location in patent: Page/Page column 38
[5] Patent: WO2007/79239, 2007, A2. Location in patent: Page/Page column 83
Spectrum DetailBack Directory
[Spectrum Detail]

Ethanone, 1-(1H-pyrrolo[2,3-b]pyridin-3-yl)- (9CI)(83393-46-8)1HNMR
83393-46-8 suppliers list
Company Name: J & K SCIENTIFIC LTD.  
Telephone: 18210857532 18210857532
Website: https://www.jkchemical.com
Company Name: BeiJing Hwrk Chemicals Limted  
Telephone: 0757-86329057 18934348241
Website: www.hwrkchemical.com/
Company Name: Energy Chemical  
Telephone: 400-0056266
Website: www.energy-chemical.com
Company Name: Capot Chemical Co., Ltd  
Telephone: +86 (0) 571 85 58 67 18
Website: www.capotchem.com
Company Name: Shanghai Hanhong Scientific Co.,Ltd.  
Telephone: 021-54306202 13764082696
Website: https://www.hanhongsci.com
Company Name: Syntechem Co.,Ltd  
Telephone:
Website: www.syntechem.com
Company Name: skychemical Co.Ltd  
Telephone: 021-20958197 20965099
Website: www.skychemical.com
Company Name: SpringPharma Tech Co.,Ltd  
Telephone: +86-25-68710855, +86-25-68710897
Website: www.springpharma.net
Company Name: Shanghai Sunway Pharmaceutical Technology Co., Ltd  
Telephone: 13761987713
Website: www.sunwaypharm.cn
Company Name: Shanghai yirong biology science and technology co., ltd  
Telephone: 18049974220
Website: www.nuohey.com
Company Name: Suzhou Guide Fine Material Co.Ltd.  
Telephone: 0512-66627360 13914021065
Website: http://www.guide-chemicals.com
Company Name: Shanghai Topbiochem Technology Co., Ltd  
Telephone: +86-21-60341587
Website: www.topbiochem.com
Company Name: SuZhou ShiYa Biopharmaceuticals, Inc.  
Telephone: 86(512)5235 8471 17715136450
Website: www.shiyabiopharm.com
Company Name: Shanghai Aladdin Bio-Chem Technology Co.,LTD  
Telephone: 400-6206333 13167063860
Website: www.aladdin-e.com/
Company Name: shanghai cooperpharm co.,LTD .  
Telephone: +86-021-58975553
Website: www.cooperpharm.com
Company Name: Chengdu AstaTech Trading Co., Ltd./AstaTech (Chengdu) Pharma. Co., Ltd.  
Telephone: +86-28-85122536 85324413
Website: www.chemicalbook.com/ShowSupplierProductsList12313/0_EN.htm
Company Name: Bide Pharmatech Ltd.  
Telephone: 400-164-7117 18317119277
Website: www.bidepharm.com
Company Name: Hunan HuaTeng Pharmaceutical Co., Ltd.,  
Telephone: 400-8592883 15367835770
Website: www.huatengsci.com
Tags:83393-46-8 Related Product Information