2-CHLOROBENZANILIDE

Base Information

• Chemical Name: 2-CHLOROBENZANILIDE
• CAS No.: 6833-13-2
• Molecular Formula: C13H10 Cl N O
• Molecular Weight: 231.681
• Hs Code.: 2924299090
• NSC Number: 405514
• UNII: GJ4TC95K9F
• DSSTox Substance ID: DTXSID90218475
• Nikkaji Number: J121.999E
• Wikidata: Q83095353
• Mol file: 6833-13-2.mol

Synonyms:Benzanilide,2-chloro- (6CI,7CI,8CI); 2-Chloro-N-phenylbenzamide; 2-Chlorobenzanilide;2-Chlorobenzoic acid anilide; N-Phenyl-o-chlorobenzamide; NSC 405514;o-Chlorobenzanilide

Chemical Property of 2-CHLOROBENZANILIDE

Chemical Property:

• Vapor Pressure: 0.00234mmHg at 25°C
• Melting Point: 114 °C
• Boiling Point: 288.4°C at 760 mmHg
• PKA: 12.84±0.70(Predicted)
• Flash Point: 128.2°C
• PSA: 29.10000
• Density: 1.285g/cm³
• LogP: 3.66530
• Storage Temp.: 2-8°C
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 231.0450916
• Heavy Atom Count: 16
• Complexity: 238

Purity/Quality:

95% ^*data from raw suppliers

2-Chloro-N-phenylbenzamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2Cl

Technology Process of 2-CHLOROBENZANILIDE

There total 34 articles about 2-CHLOROBENZANILIDE 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: 99.0%

o-chlorobenzoyl chloride (609-65-4) + aniline (62-53-3) → 2-chlorobenzanilide (6833-13-2)

Guidance literature:

With triethylamine; In tetrahydrofuran; at 0 - 20 ℃;

DOI:10.1039/c5md00552c

Reference yield: 98.0%

o-chlorobenzoyl chloride (609-65-4) → 2-chlorobenzanilide (6833-13-2)

Guidance literature:

With triethylamine hydrochloride; triethylamine; In chloroform; water; benzene;

Reference yield: 95.0%

N-acetoxy-2-chloro-N-phenylbenzamide → 2-chlorobenzanilide (6833-13-2)

Guidance literature:

With samarium diiodide; In tetrahydrofuran; at 20 ℃; Inert atmosphere;

DOI:10.1039/c7ob00855d

upstream raw materials:

(2-chlorophenyl)phenylmethanone oxime

(Z)-N-[(2-chlorophenyl)(phenyl)methylidene]hydroxylamine

o-chlorobenzoyl chloride

aniline

Downstream raw materials:

(2-Chloro-benzoyl)-phenyl-carbamic acid allyl ester

N-phenyl benzoyl amide

6(5H)-phenanthridinone

N-phenyl-o-chlorothiobenzamide

Refernces

• 1、 Neerathilingam, Nalladhambi,Bhargava Reddy, Mandapati,Anandhan, Ramasamy. "Regioselective Synthesis of 2° Amides Using Visible-Light-Induced Photoredox-Catalyzed Nonaqueous Oxidative C-N Cleavage of N, N-Dibenzylanilines". supporting information. p. 15117 - 15127. Retrieved 2021/10/25.
• 2、 Burtoloso, Antonio C. B.,Caiuby, Clarice A. D.,De Jesus, Matheus P.. "α-Imino Iridium Carbenes from Imidoyl Sulfoxonium Ylides: Application in the One-Step Synthesis of Indoles". . p. 7433 - 7445. Retrieved 2020/06/27.