N-(2-fluorophenyl)benzamide

Base Information

• Chemical Name: N-(2-fluorophenyl)benzamide
• CAS No.: 1747-80-4
• Molecular Formula: C13H10 F N O
• Molecular Weight: 215.227
• NSC Number: 51886
• UNII: AW7N5CVS37
• DSSTox Substance ID: DTXSID30957937
• Nikkaji Number: J503.765D
• Wikidata: Q82938419
• Mol file: 1747-80-4.mol

Synonyms:N-(2-fluorophenyl)benzamide;367-97-5;Benzanilide, 2-fluoro-;NSC51886;CBMicro_009304;Cambridge id 5136687;2'-FLUOROBENZANILIDE;AW7N5CVS37;SCHEMBL2113824;Benzamide, N-(2-fluorophenyl)-;CCG-710;DTXSID30957937;UZPGWRCSQTZJAB-UHFFFAOYSA-N;SMSF0003648;NSC-51886;STK018903;AKOS002960471;CB12412;N-Benzoyl derivative of o-fluoroaniline;BIM-0009522.P001;N-(2-Fluorophenyl)benzenecarboximidic acid;AO-548/05797021

Chemical Property of N-(2-fluorophenyl)benzamide

Chemical Property:

• Vapor Pressure: 0.015mmHg at 25°C
• Boiling Point: 241.6°Cat760mmHg
• Flash Point: 99.9°C
• PSA: 29.10000
• Density: 1.247g/cm³
• LogP: 3.15100
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 215.074642105
• Heavy Atom Count: 16
• Complexity: 238

Purity/Quality:

99% ^*data from raw suppliers

2-Fluoro-N-phenyl-benzamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2F

Technology Process of N-(2-fluorophenyl)benzamide

There total 14 articles about N-(2-fluorophenyl)benzamide 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: 98.0%

aniline (62-53-3) + 2-Fluorobenzoyl chloride (393-52-2) → 2-fluoro-N-phenylbenzamide (1747-80-4)

Guidance literature:

With pyridine; dmap; at 0 - 20 ℃;

Reference yield: 86.0%

aniline (62-53-3) + o-fluoro-benzoic acid (445-29-4) → 2-fluoro-N-phenylbenzamide (1747-80-4)

Guidance literature:

With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In tetrahydrofuran; at 20 ℃; for 16h;

DOI:10.1055/s-0030-1258302

Reference yield: 84.0%

2-fluoro-N-(2-chlorophenyl)benzamide (1629-11-4) → 2-fluoro-N-phenylbenzamide (1747-80-4)

Guidance literature:

With 1-[2-(N-(3-diphenylphosphinopropyl))aminoethyl]pyrrolidine; triethylamine; palladium dichloride; In water; at 100 ℃; for 12h; regioselective reaction;

DOI:10.1055/s-0040-1707116

upstream raw materials:

aniline

2-Fluorobenzoyl chloride

o-fluoro-benzoic acid

iodobenzene

Downstream raw materials:

3-Amino-4-(4-fluoro-phenyl)-2-phenyl-2H-isoquinolin-1-one

2-fluoro-N-phenyl-thiobenzamide

N-(Dichloro-fluoro-methylsulfanyl)-2-fluoro-N-phenyl-benzamide

2,3-diphenyl-4-carboxylic acid ethyl ester-isoquinolin-1(2H)-one

Refernces

• 1、 Bai, Jin,Yan, Sijia,Zhang, Zhuxia,Guo, Zhen,Zhou, Cong-Ying. "Visible-Light Carbon Nitride-Catalyzed Aerobic Cyclization of Thiobenzanilides under Ambient Air Conditions". supporting information. p. 4843 - 4848. Retrieved 2021/06/28.
• 2、 Joseph, Devaneyan,Lee, Sunwoo,Park, Myeong Seong. "Metal-free transamidation of benzoylpyrrolidin-2-one and amines under aqueous conditions". supporting information. p. 6227 - 6232. Retrieved 2021/07/28.