4-Amino-2-chlorobenzamide

Base Information

• Chemical Name: 4-Amino-2-chlorobenzamide
• CAS No.: 211374-81-1
• Molecular Formula: C7H7ClN2O
• Molecular Weight: 170.598
• Hs Code.: 2924299090
• European Community (EC) Number: 856-234-6
• UNII: EN3579G41A
• DSSTox Substance ID: DTXSID40465715
• Wikidata: Q27896104
• Mol file: 211374-81-1.mol

Synonyms:4-amino-2-chlorobenzamide;211374-81-1;Benzamide, 4-amino-2-chloro-;EN3579G41A;4-amino-2-chloro-benzamide;UNII-EN3579G41A;SCHEMBL2335079;DTXSID40465715;XTCHLLLRWDYHRD-UHFFFAOYSA-N;MFCD09043062;AKOS000103032;4-Amino-2-chlorobenzamide, AldrichCPR;VS-10342;CS-0118580;FT-0744484;EN300-33730;D87232;J-013874;Q27896104;Z239125316

Chemical Property of 4-Amino-2-chlorobenzamide

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 336.176oC at 760 mmHg
• PKA: 16.19±0.50(Predicted)
• Flash Point: 157.114oC
• PSA: 69.11000
• Density: 1.394g/cm3
• LogP: 2.30260
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 170.0246905
• Heavy Atom Count: 11
• Complexity: 163

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Amino-2-chlorobenzamide ^*data from reagent suppliers

Safty Information:

• Statements: 36
• Safety Statements: 26

MSDS Files:

Useful:

• Canonical SMILES: C1=CC(=C(C=C1N)Cl)C(=O)N
• Uses: 4-Amino-2-chlorobenzamide acts as a reagent used in the synthetic preparation of phenylaminopyrimidine derivatives as protein kinase inhibitors.

Technology Process of 4-Amino-2-chlorobenzamide

There total 5 articles about 4-Amino-2-chlorobenzamide 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: 94.0%

(3-chlorophenyl)urea (1967-27-7) → 4-amino-2-chloro-benzamide (211374-81-1)

Guidance literature:

With aluminium trichloride; for 0.075h; microwave irradiation;

Reference yield: 75.0%

4-amino-2-chlorobenzonitrile (20925-27-3) → 4-amino-2-chloro-benzamide (211374-81-1)

Guidance literature:

With dihydrogen peroxide; potassium carbonate; In water; dimethyl sulfoxide; at 0 - 35 ℃; for 1.66h;

Reference yield: 64.0%

→ 4-amino-2-chloro-benzamide (211374-81-1)

Guidance literature:

With tin(II) chloride dihdyrate; In ethanol; for 3h; Reflux;

upstream raw materials:

Novastat

(3-chlorophenyl)urea

2-chloro-4-nitrobenzoyl chloride

4-amino-2-chlorobenzonitrile

Downstream raw materials:

C₂₄H₁₉ClN₄O₅

C₁₁H₁₀ClN₃O₂

C₇H₈ClN₃O

Refernces

• 1、 -. "NOVEL 4,6-DISUBSTITUTED AMINOPYRIMIDINE DERIVATIVES HAVING BOTH AROMATIC AND HALOGENIC SUBSTITUENTS". Paragraph 0677; 0678. . Retrieved 2014/03/24.