4-Fluorobenzanilide

Base Information

• Chemical Name: 4-Fluorobenzanilide
• CAS No.: 366-63-2
• Molecular Formula: C13H10FNO
• Molecular Weight: 215.227
• Hs Code.: 2924299090
• European Community (EC) Number: 206-677-0
• NSC Number: 51891
• DSSTox Substance ID: DTXSID70190083
• Nikkaji Number: J193.873H
• Wikidata: Q83062352
• Mol file: 366-63-2.mol

Synonyms:4-Fluorobenzanilide;4-fluoro-N-phenylbenzamide;366-63-2;4-Fluoro-N-phenyl-benzamide;EINECS 206-677-0;NSC51891;N-Phenyl-4-fluorobenzamide;4-fluoro-N~1~-phenylbenzamide;SCHEMBL4783063;FIEGRQABVBXYQT-UHFFFAOYSA-;DTXSID70190083;HMS1673E11;MFCD00055240;NSC 51891;NSC-51891;STK216671;AKOS000504231;CS-0270155;EN300-10214677;Z27782621

Chemical Property of 4-Fluorobenzanilide

Chemical Property:

• Vapor Pressure: 0.014mmHg at 25°C
• Melting Point: 182-184 °C
• Boiling Point: 258.1°Cat760mmHg
• PKA: 13.39±0.70(Predicted)
• Flash Point: 109.9°C
• PSA: 29.10000
• Density: 1.247g/cm³
• LogP: 3.15100
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 215.074642105
• Heavy Atom Count: 16
• Complexity: 230

Purity/Quality:

99% ^*data from raw suppliers

4-Fluoro-N-phenyl-benzamide 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)F

Technology Process of 4-Fluorobenzanilide

There total 63 articles about 4-Fluorobenzanilide 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%

4-fluorobenzaldehyde (459-57-4) + aniline (62-53-3) → 4-fluoro-N-phenylbenzamide (366-63-2)

Guidance literature:

With bis(1,5-cyclooctadiene)nickel ⁽⁰⁾; 2,2,2-Trifluoroacetophenone; 1,3-bis-(2,6-diisopropylphenyl)-imidazol-2-ylidene; In 1,4-dioxane; at 40 ℃; for 8h; Inert atmosphere; Glovebox;

DOI:10.1002/anie.201410322

Reference yield: 97.0%

phenyl 4-fluorobenzoate (2714-90-1) + aniline (62-53-3) → 4-fluoro-N-phenylbenzamide (366-63-2)

Guidance literature:

With allylchloro-[1,3-bis(diisopropylphenyl)-imidazole-2-ylidene]palladium(II); water; potassium carbonate; In toluene; at 110 ℃; for 16h; Inert atmosphere;

DOI:10.1021/acscatal.7b00245

Reference yield: 95.0%

4-Fluorobenzoic acid (456-22-4) + aniline (62-53-3) → 4-fluoro-N-phenylbenzamide (366-63-2)

Guidance literature:

With oxygen; lithium hydroxide; In water; at 20 ℃; for 14h; Sonication;

DOI:10.1002/cssc.201403469

upstream raw materials:

p-fluorobenzoyl cyanide

aniline

4-fluorobenzoyl chloride

fluorobenzene

Downstream raw materials:

5-(4-fluorophenyl)-1-phenyl-1H-tetrazole

2-(4-fluorophenyl)indole

4-fluorobenzylic alcohol

aniline

Refernces

• 1、 Zhao, Rong,Dong, Wenwen,Teng, Jiangge,Wang, Zhiwei,Wang, Yunzhong,Yang, Jianguo,Jia, Qiang,Chu, Changhu. "Activated charcoal supported copper nanoparticles: A readily available and inexpensive heterogeneous catalyst for the N-arylation of primary amides and lactams with aryl iodides". supporting information. . Retrieved 2020/12/21.
• 2、 Angeles-Beltrán, Deyanira,Mendoza-Espinosa, Daniel,Rendón-Nava, David,Rheingold, Arnold L.. "Palladium(II) Complexes of a Neutral CCC-Tris(N-heterocyclic carbene) Pincer Ligand: Synthesis and Catalytic Applications". supporting information. p. 2166 - 2177. Retrieved 2021/07/20.