4-bromo-N-phenylbenzamide

Base Information

• Chemical Name: 4-bromo-N-phenylbenzamide
• CAS No.: 6846-12-4
• Molecular Formula: C13H10BrNO
• Molecular Weight: 276.132
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID70351112
• Nikkaji Number: J570.614I
• Wikidata: Q82127267
• Mol file: 6846-12-4.mol

Synonyms:4-bromo-N-phenylbenzamide;6846-12-4;N-Phenyl 4-bromobenzamide;4-Bromobenzanilide;4-Bromo-N-phenyl-benzamide;Maybridge1_004278;N1-phenyl-4-bromobenzamide;SCHEMBL5080945;HMS553K12;DTXSID70351112;QVTGXXQAVWWJRO-UHFFFAOYSA-N;MFCD00624477;STK044507;AKOS000178033;AS-58621;CS-0194943;E89491;Z27782616

Chemical Property of 4-bromo-N-phenylbenzamide

Chemical Property:

• Vapor Pressure: 0.000863mmHg at 25°C
• Melting Point: 205 °C
• Boiling Point: 304.7oC at 760 mmHg
• PKA: 13.14±0.70(Predicted)
• Flash Point: 138oC
• PSA: 29.10000
• Density: 1.496g/cm3
• LogP: 3.77440
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 274.99458
• Heavy Atom Count: 16
• Complexity: 230

Purity/Quality:

99%, ^*data from raw suppliers

4-Bromo-N-phenylbenzamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 4-bromo-N-phenylbenzamide

There total 87 articles about 4-bromo-N-phenylbenzamide 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%

4-bromo-benzaldehyde (1122-91-4) + aniline (62-53-3) → 4-bromo-N-phenyl-benzamide (6846-12-4)

Guidance literature:

aniline; With C₃₀H₆₀Li₄N₈; In diethyl ether; for 0.5h; Inert atmosphere; Schlenk technique;

4-bromo-benzaldehyde; In diethyl ether; at 20 ℃; for 3h; Inert atmosphere; Schlenk technique;

DOI:10.1021/om4006609

Reference yield: 97.0%

4-Bromobenzoic acid (586-76-5) + aniline (62-53-3) → 4-bromo-N-phenyl-benzamide (6846-12-4)

Guidance literature:

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

DOI:10.1039/c9ob00699k

Reference yield: 91.0%

4-bromobenzenemethanol (873-75-6) + Azobenzene (1227476-15-4) → 4-bromo-N-phenyl-benzamide (6846-12-4)

Guidance literature:

With tert.-butylhydroperoxide; water; In acetonitrile; at 120 ℃; for 24h; Sealed tube;

DOI:10.1016/j.tet.2015.11.063

upstream raw materials:

4-Bromobenzoic acid

4-bromo-benzophenone-(Z)-hydrazone

4-bromo-thiobenzoic acid

phenyl isothiocyanate

Downstream raw materials:

(4-bromophenyl)[4-(dimethylamino)phenyl]methanone

4-butylsulfanyl-benzoic acid anilide

C₂₇H₁₈BrNO

4-Bromobenzoic acid

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、 -. "Selective hydrogenation dehalogenation method of ortho-halogenated acylaniline". Paragraph 0084-0088. . Retrieved 2021/01/20.