1-(2-Fluoro-5-nitrophenyl)ethanone

Base Information

• Chemical Name: 1-(2-Fluoro-5-nitrophenyl)ethanone
• CAS No.: 79110-05-7
• Molecular Formula: C8H6FNO3
• Molecular Weight: 183.139
• Hs Code.: 2914700090
• European Community (EC) Number: 639-356-2
• DSSTox Substance ID: DTXSID70381732
• Nikkaji Number: J1.650.348G
• Wikidata: Q72475101
• Mol file: 79110-05-7.mol

Synonyms:79110-05-7;1-(2-fluoro-5-nitrophenyl)ethanone;2'-Fluoro-5'-nitroacetophenone;1-(2-fluoro-5-nitrophenyl)ethan-1-one;2-fluoro-5-nitroacetophenone;ETHANONE, 1-(2-FLUORO-5-NITROPHENYL)-;MFCD00277867;1-(2-fluoro-5-nitro-phenyl)ethanone;1-(2-FLUORO-5-NITRO-PHENYL)-ETHANONE;2-Fluoro-5nitroacetophenone;SCHEMBL2832;DTXSID70381732;BCXOSCQTHVTUET-UHFFFAOYSA-N;AMY16106;BCP18512;CS-D1637;BBL100434;STL554228;AKOS005254352;DS-1648;AC-26551;SY021875;F1199;FT-0648053;EN300-49718;A19713;Ethanone, 1-?(2-?fluoro-?5-?nitrophenyl)?-;J-503012;Z594270816;1-(2-Fluoro-5-nitrophenyl)ethanone;1-(2-Fluoro-5-nitrophenyl)ethan-1-one;2 inverted exclamation mark -Fluoro-5 inverted exclamation mark -nitroacetophenone

Chemical Property of 1-(2-Fluoro-5-nitrophenyl)ethanone

Chemical Property:

• Vapor Pressure: 0.0367mmHg at 25°C
• Melting Point: 53-54 °C
• Refractive Index: 1.537
• Boiling Point: 241 °C at 760 mmHg
• Flash Point: 99.6 °C
• PSA: 62.89000
• Density: 1.336 g/cm³
• LogP: 2.45970
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 183.03317122
• Heavy Atom Count: 13
• Complexity: 226

Purity/Quality:

98% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])F
• Uses: 2''-Fluoro-5''-nitroacetophenone

Technology Process of 1-(2-Fluoro-5-nitrophenyl)ethanone

There total 5 articles about 1-(2-Fluoro-5-nitrophenyl)ethanone 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: 97.0%

2'-Fluoroacetophenone (445-27-2) → 1-(2-fluoro-5-nitrophenyl)ethanone (79110-05-7)

Guidance literature:

With sulfuric acid; nitric acid; at -42 ℃; for 0.5h;

Reference yield: 81.0%

2-fluoro-5-nitrobenzoyl chloride (709-46-6) + methylmagnesium bromide (75-16-1) → 1-(2-fluoro-5-nitrophenyl)ethanone (79110-05-7)

Guidance literature:

methylmagnesium bromide; With zinc dibromide; In tetrahydrofuran; diethyl ether; at -78 - 20 ℃;

2-fluoro-5-nitrobenzoyl chloride; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In tetrahydrofuran; diethyl ether; at -78 - 20 ℃; Further stages.;

DOI:10.1021/jo701987r

Reference yield:

2-bromo-1-fluoro-4-nitrobenzene (701-45-1) + tributyl(1-ethoxyvinyl)stannane (97674-02-7) → 1-(2-fluoro-5-nitrophenyl)ethanone (79110-05-7)

Guidance literature:

2-bromo-1-fluoro-4-nitrobenzene; tributyl(1-ethoxyvinyl)stannane; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In toluene; at 110 ℃; for 48h;

With hydrogenchloride; In water; toluene; at 20 ℃; for 0.666667h;

upstream raw materials:

2'-Fluoroacetophenone

2-bromo-1-fluoro-4-nitrobenzene

tributyl(1-ethoxyvinyl)stannane

2-fluoro-5-nitrobenzoyl chloride

Downstream raw materials:

2-ethanoly-4-nitro-N-phenylaniline

2-(2,2-dichloro-1-methylvinyl)-1-fluoro-4-nitrobenzene

C₁₂H₁₄N₂O₄

5-chloro-pyrazine-2-carboxylic acid [3-((R)-2-amino-5,5-difluoro-4-methyl-5,6-dihydro-4H-[1,3]oxazin-4-yl)-4-fluoro-phenyl]-amide

Refernces

• 1、 -. "DIAZINE-FUSED AMIDINE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE". Page/Page column 48-49. . Retrieved 2016/04/09.
• 2、 -. "2-spiro-substituted iminothiazines and their mono-and dioxides as bace inhibitors, compositions and their use". Page/Page column 106; 107. . Retrieved 2015/12/07.