5'-Fluoro-2'-hydroxy-3'-nitroacetophenone

Base Information

• Chemical Name: 5'-Fluoro-2'-hydroxy-3'-nitroacetophenone
• CAS No.: 70978-39-1
• Molecular Formula: C8H6FNO4
• Molecular Weight: 199.138
• European Community (EC) Number: 622-131-8
• DSSTox Substance ID: DTXSID10374582
• Nikkaji Number: J2.631.877G
• Wikidata: Q82163195
• Mol file: 70978-39-1.mol

Synonyms:70978-39-1;5'-Fluoro-2'-hydroxy-3'-nitroacetophenone;1-(5-fluoro-2-hydroxy-3-nitrophenyl)ethanone;1-(5-fluoro-2-hydroxy-3-nitrophenyl)ethan-1-one;SCHEMBL3840635;DTXSID10374582;YVTPUCHIOSGVSH-UHFFFAOYSA-N;MFCD03094007;AKOS015916326;FS-4802;5-fluoro-2-hydroxy-3-nitroacetophenone;2'-Hydroxy-3'-nitro-5'-fluoroacetophenone;CS-0322583;FT-0690705;D96254;1-(5-fluoro-2-hydroxy-3-nitrophenyl) ethanone;5'-Fluoro-2'-hydroxy-3'-nitroacetophenone, 98%

Chemical Property of 5'-Fluoro-2'-hydroxy-3'-nitroacetophenone

Chemical Property:

• Vapor Pressure: 0.0238mmHg at 25°C
• Melting Point: 87-90 °C(lit.)
• Refractive Index: 1.574
• Boiling Point: 240.9°C at 760 mmHg
• Flash Point: 99.5°C
• PSA: 83.12000
• Density: 1.47g/cm³
• LogP: 2.16530
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 199.02808583
• Heavy Atom Count: 14
• Complexity: 252

Purity/Quality:

98%min ^*data from raw suppliers

5''-Fluoro-2''-hydroxy-3''-nitroacetophenone ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(=O)C1=C(C(=CC(=C1)F)[N+](=O)[O-])O
• Uses: 5′-Fluoro-2′-hydroxy-3′-nitroacetophenone may be used to prepare 1-(3-amino-5-fluoro-2-hydroxyphenyl)ethanone via catalytic hydrogenation.

Technology Process of 5'-Fluoro-2'-hydroxy-3'-nitroacetophenone

There total 2 articles about 5'-Fluoro-2'-hydroxy-3'-nitroacetophenone which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 98.48%

1-(5-fluoro-2-hydroxyphenyl)ethan-1-one (394-32-1) → 5'-fluoro-2'-hydroxy-3'-nitroacetophenone (70978-39-1)

Guidance literature:

With nitric acid; acetic acid; In acetic acid; at 0 - 20 ℃; for 3h;

Reference yield:

→ 5'-fluoro-2'-hydroxy-3'-nitroacetophenone (70978-39-1)

Guidance literature:

Reference yield: 99.0%

5'-fluoro-2'-hydroxy-3'-nitroacetophenone (70978-39-1) → 3-amino-5-fluoro-2-hydroxyacetophenone (70977-84-3)

Guidance literature:

With hydrogen; palladium on activated charcoal; In ethanol;

DOI:10.1021/jm00154a019

upstream raw materials:

1-(5-fluoro-2-hydroxyphenyl)ethan-1-one

Downstream raw materials:

3-amino-5-fluoro-2-hydroxyacetophenone

N-(3-acetyl-5-fluoro-2-hydroxyphenyl)-1H-tetrazole-5-carboxamide

1-(4-methoxy-benzyl)-1H-tetrazole-5-carboxylic acid 3-acetyl-5-fluoro-2-hydroxy-anilide

1-Benzyl-1H-tetrazole-5-carboxylic acid (3-acetyl-5-fluoro-2-hydroxy-phenyl)-amide

Refernces

• 1、 -. "SUBSTITUTED IMIDAZO[1,2-a]PYRIDINE COMPOUNDS AS TROPOMYOSIN RECEPTOR KINASE A (TrkA) INHIBITORS". Paragraph 0601; 0602. . Retrieved 2016/01/15.
• 2、 -. "SUBSTITUTED PYRAZOLO[1,5-A] PYRIDINE AS TROPOMYOSIN RECEPTOR KINASE (TRK) INHIBITORS". Paragraph 0630. . Retrieved 2015/01/06.