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

Description

1-(2-fluoro-3-hydroxy-6-nitrophenyl)propan-2-one, with the CAS number 649736-31-2, is a synthetic organic compound characterized by its unique molecular structure featuring a fluorine atom, a hydroxyl group, and a nitro group attached to a phenyl ring. 1-(2-fluoro-3-hydroxy-6-nitrophenyl)propan-2-one is known for its potential applications in various fields, particularly as a research chemical.

Uses

Used in Research and Development:
1-(2-fluoro-3-hydroxy-6-nitrophenyl)propan-2-one is used as a research chemical for the development of new pharmaceuticals, materials, and chemical processes. Its unique structure and properties make it a valuable tool for scientists to study and understand various chemical reactions and mechanisms.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, 1-(2-fluoro-3-hydroxy-6-nitrophenyl)propan-2-one is used as an intermediate or building block in the synthesis of new drug candidates. Its presence of functional groups allows for further chemical modifications, enabling the creation of novel compounds with potential therapeutic applications.
Used in Chemical Synthesis:
1-(2-fluoro-3-hydroxy-6-nitrophenyl)propan-2-one is utilized as a key component in the synthesis of various organic compounds, including dyes, pigments, and other specialty chemicals. Its versatility in chemical reactions contributes to the development of new products with diverse applications.
Used in Material Science:
In the field of material science, 1-(2-fluoro-3-hydroxy-6-nitrophenyl)propan-2-one is employed as a precursor for the development of new materials with specific properties. Its incorporation into polymers or other materials can lead to the creation of innovative products with improved performance characteristics.
Overall, 1-(2-fluoro-3-hydroxy-6-nitrophenyl)propan-2-one is a versatile research chemical with a wide range of potential applications across various industries, including pharmaceuticals, chemical synthesis, and material science. Its unique structure and properties make it an essential component in the development of new products and technologies.

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

• 1022112-32-8 2-(2,3-difluoro-6-nitrophenyl)-3-oxobutanoic acid ethyl ester 
• 771-69-7 2,3,4-trifluoronitrobenzene 
• 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.