N-(4-chlorophenyl)-2-nitrobenzamide

Base Information

• Chemical Name: N-(4-chlorophenyl)-2-nitrobenzamide
• CAS No.: 41562-57-6
• Molecular Formula: C13H9 Cl N2 O3
• Molecular Weight: 276.679
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID30351274
• Nikkaji Number: J1.888.884J
• Wikidata: Q82127557
• Mol file: 41562-57-6.mol

Synonyms:N-(4-chlorophenyl)-2-nitrobenzamide;41562-57-6;Benzamide, N-(4-chlorophenyl)-2-nitro-;CBMicro_009639;Oprea1_701633;Oprea1_783495;SCHEMBL5226448;DTXSID30351274;XCENMAGLUPDPPI-UHFFFAOYSA-N;SMSF0005387;2-nitro-n-(4-chlorophenyl)benzamide;CCG-56022;MFCD00170979;STK391327;AKOS001304175;CB12453;MS-6714;BIM-0009760.P001;CS-0294157;N-(4-CHLORO-PHENYL)-2-NITRO-BENZAMIDE;N-(4-CHLOROPHENYL)(2-NITROPHENYL)FORMAMIDE;SR-01000645011-1;Z28161733

Chemical Property of N-(4-chlorophenyl)-2-nitrobenzamide

Chemical Property:

• PSA: 74.92000
• LogP: 4.09670
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 276.0301698
• Heavy Atom Count: 19
• Complexity: 337

Purity/Quality:

99% ^*data from raw suppliers

N-(4-Chlorophenyl)-2-nitrobenzamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)C(=O)NC2=CC=C(C=C2)Cl)[N+](=O)[O-]

Technology Process of N-(4-chlorophenyl)-2-nitrobenzamide

There total 4 articles about N-(4-chlorophenyl)-2-nitrobenzamide 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: 86.0%

4-chloro-aniline (106-47-8) + 2-nitrobenzyl chloride (610-14-0) → 2-nitro-N-(4-chlorophenyl)benzamide (41562-57-6)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃;

DOI:10.1021/jm701191z

Reference yield:

ortho-nitrobenzoic acid (552-16-9,104810-18-6) → 2-nitro-N-(4-chlorophenyl)benzamide (41562-57-6)

Guidance literature:

Multi-step reaction with 2 steps

1: SOCl₂; DMF / CH₂Cl₂ / 20 °C

2: NEt₃ / CH₂Cl₂ / 20 °C

With thionyl chloride; triethylamine; N,N-dimethyl-formamide; In dichloromethane;

DOI:10.1016/S0960-894X(02)00938-1

Reference yield:

ortho-nitrobenzoic acid (552-16-9,104810-18-6) + 4-chloro-aniline (106-47-8) → 2-nitro-N-(4-chlorophenyl)benzamide (41562-57-6)

Guidance literature:

With N-ethyl-N,N-diisopropylamine; HATU; In N,N-dimethyl-formamide; at 20 ℃;

DOI:10.1016/j.bmc.2007.07.047

upstream raw materials:

4-chloro-aniline

2-nitrobenzyl chloride

ortho-nitrobenzoic acid

Downstream raw materials:

2-(4-chloro-phenyl)-1,2-dihydro-indazol-3-one

3-(4-chlorophenyl)quinazolin-4(3H)-one

C₁₈H₁₇ClN₂O

N-(4-chlorophenyl)-2-(thiophen-2-ylcarbonylamino)benzamide