649736-31-2

Basic information

• Product Name: 1-(2-fluoro-3-hydroxy-6-nitrophenyl)propan-2-one
• Synonyms: 1-(2-fluoro-3-hydroxy-6-nitrophenyl)propan-2-one;2-Propanone, 1-(2-fluoro-3-hydroxy-6-nitrophenyl)-;1-(2-Fluoro-3-hydroxy-6-nitrophenyl);2-Fluoro-3-hydroxy-6-nitrophenylacetone
• CAS NO: 649736-31-2
• Molecular Formula: C₉H₈FNO₄
• Molecular Weight: 213.1625232
• EINECS: -0
• Mol File: 649736-31-2.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 352.999°C at 760 mmHg
• Flash Point: 167.288°C
• Appearance: /Solid
• Density: 1.418g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.564
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• PKA: 5.58±0.24(Predicted)
• CAS DataBase Reference: 1-(2-fluoro-3-hydroxy-6-nitrophenyl)propan-2-one(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(2-fluoro-3-hydroxy-6-nitrophenyl)propan-2-one(649736-31-2)
• EPA Substance Registry System: 1-(2-fluoro-3-hydroxy-6-nitrophenyl)propan-2-one(649736-31-2)

Safety Data

• Hazardous Substances Data: 649736-31-2(Hazardous Substances Data)

Usage

Uses

1-(2-fluoro-3-hydroxy-6-nitrophenyl)propan-2-one (cas# 649736-31-2) is a useful research chemical.

InChI:InChI=1/C9H8FNO4/c1-5(12)4-6-7(11(14)15)2-3-8(13)9(6)10/h2-3,13H,4H2,1H3

Upstream product

• 771-69-7 2,3,4-trifluoronitrobenzene 
• 1022112-32-8 2-(2,3-difluoro-6-nitrophenyl)-3-oxobutanoic acid ethyl ester 
• 121247-16-3 1-(2,3-difluoro-6-nitrophenyl)propan-2-one 
• 1022112-33-9 ethyl 2-(2-fluoro-3-hydroxy-6-nitrophenyl)-3-oxobutanoate 
• 1022112-31-7 methyl 2-(2-fluoro-3-hydroxy-6-nitrophenyl)-3-oxobutanoate 
• 288385-99-9 1-(2-fluoro-3-methoxy-6-nitrophenyl)propan-2-one 
• 288385-98-8 1-(3-benzyloxy-2-fluoro-6-nitro-phenyl)-propan-2-one 
• 10035-10-6 hydrogen bromide 

Downstream Products

• 288385-88-6 4-fluoro-2-methyl-1H-indol-5-ol 
• 1022112-47-5 1-(3-{[7-(benzyloxy)-6-methoxyquinazolin-4-yl]oxy}-2-fluoro-6-nitrophenyl)acetone 
• 649736-29-8 4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid ethyl ester 
• 649735-41-1 4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-ol 
• 952490-01-6 4-(4-fluoro-2-methyl-1H-indol-5-yloxy)-5-methylpyrrolo[1,2-f][1,2,4]triazin-6-yl pivalate 
• 1360460-82-7 1-[[[4-(4-fluoro-2-methyl-1H-indol-5-yl)oxy-6-methoxyquinolin-7-yl]oxy]methyl]cyclopropylamine dihydrochloride 
• 1210828-44-6 4-(4-fluoro-2-methyl-1H-indol-5-yl)oxy-6-methoxy-7-hydroxyquinoline 
• 1210828-42-4 1-(3-(7-(benzyloxy)-6-methoxyquinolin-4-yloxy)-2-fluoro-6-nitrophenyl)propan-2-one 

Relevant articles and documents

Commercial synthesis of a pyrrolotriazine-fluoroindole intermediate to brivanib alaninate: Process development directed toward impurity control

The development of a practical, commercial process for the preparation of 4-fluoro-2-methyl-indol-5-ol and its subsequent coupling with a pyrrolotriazine to form an advanced intermediate of the oncology therapy brivanib alaninate is described. A key aspect is the multikilogram-scale preparation of the fluoroindole intermediate from trifluoronitrobenzene and the subsequent coupling while achieving impurity minimalization. As brivanib alaninate is a high-dose drug, the synthesis of highquality API with low levels of impurities is critical.

CHEMICAL PROCESS

The present invention relates to chemical processes for the manufacture of certain quinazoline derivatives, or pharmaceutically acceptable salts thereof. The invention also relates to processes for the manufacture of certain intermediates useful in the manufacture of the quinazoline derivatives and to processes for the manufacture of the quinazoline derivatives utilising said intermediates. In particular, the present invention relates to chemical processes and intermediates useful in the manufacture of the compound 4-(4-fluoro-2-methylindol-5-yloxy)-6-methoxy-7-(3-pyrrolidin-1-ylpropoxy)quinazoline.