N-[4-(trifluoromethyl)phenyl]benzamide

Base Information

• Chemical Name: N-[4-(trifluoromethyl)phenyl]benzamide
• CAS No.: 350-98-1
• Molecular Formula: C14H10F3NO
• Molecular Weight: 265.235
• DSSTox Substance ID: DTXSID00359287
• Nikkaji Number: J982.682C
• Wikidata: Q82140435
• ChEMBL ID: CHEMBL1416794
• Mol file: 350-98-1.mol

Synonyms:N-[4-(trifluoromethyl)phenyl]benzamide;350-98-1;Benzamide, N-[4-(trifluoromethyl)phenyl]-;MLS002206489;SCHEMBL2564890;CHEMBL1416794;DTXSID00359287;CAXXYVMHZINPIB-UHFFFAOYSA-N;HMS2213H24;HMS3343O07;AKOS001378923;N-(4-Trifluoromethyl-phenyl)-benzamide;SMR001295305;Z30910549

Chemical Property of N-[4-(trifluoromethyl)phenyl]benzamide

Chemical Property:

• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 265.07144843
• Heavy Atom Count: 19
• Complexity: 302

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(F)(F)F

Technology Process of N-[4-(trifluoromethyl)phenyl]benzamide

There total 50 articles about N-[4-(trifluoromethyl)phenyl]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: 100.0%

4-trifluoromethylphenylamine (455-14-1) + benzoyl chloride (98-88-4) → N-(4-(trifluoromethyl)phenyl)benzamide (350-98-1)

Guidance literature:

With triethylamine; In dichloromethane; for 2h;

DOI:10.1021/jo962090p

Reference yield: 99.0%

4-trifluoromethylphenylamine (455-14-1) + benzoic acid (65-85-0,8013-63-6) → N-(4-(trifluoromethyl)phenyl)benzamide (350-98-1)

Guidance literature:

With fluorosulfonyl fluoride; N-ethyl-N,N-diisopropylamine; In acetonitrile; at 20 ℃; for 5h;

DOI:10.1039/c9ob00699k

Reference yield: 99.0%

benzoic acid methyl ester (93-58-3,5705-52-2,80226-58-0) + 4-trifluoromethylphenylamine (455-14-1) → N-(4-(trifluoromethyl)phenyl)benzamide (350-98-1)

Guidance literature:

With sodium t-butanolate; In neat (no solvent); at 20 ℃; for 1h; Inert atmosphere; Schlenk technique; Green chemistry;

DOI:10.1039/d1gc00720c

upstream raw materials:

4-trifluoromethylphenylamine

benzoyl chloride

N-(4-Trifluoromethyl-phenyl)-benzimidic acid (E)-4-methyl-pent-2-enyl ester

phenylmethylidyne-(4-trifluoromethyl-phenyl)-ammonium

Downstream raw materials:

N-(p-methoxyphenyl)benzamide

N-methyl-4-(trifluoromethyl)aniline

benzyl alcohol

N-(4-(trifluoromethyl)phenyl)benzothioamide

Refernces

• 1、 Chen, Cheng,Cheng, Hua,Du, Min-Chen,Qian, Liang,Qin, Xin,Sang, Wei,Yao, Wei-Zhong,Yuan, Ye,Zhang, Rui. "A practical and sustainable protocol for direct amidation of unactivated esters under transition-metal-free and solvent-free conditions". supporting information. p. 3972 - 3982. Retrieved 2021/06/17.
• 2、 Tang, Jing-Jing,Yu, Xiaoqiang,Yamamoto, Yoshinori,Bao, Ming. "Visible-Light-Promoted Iron-Catalyzed N-Arylation of Dioxazolones with Arylboronic Acids". . p. 13955 - 13961. Retrieved 2021/11/20.