4-Amino-3-chlorobenzamide

Base Information

• Chemical Name: 4-Amino-3-chlorobenzamide
• CAS No.: 50961-67-6
• Molecular Formula: C7H7ClN2O
• Molecular Weight: 170.598
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID50477869
• Wikidata: Q82310895
• Mol file: 50961-67-6.mol

Synonyms:4-AMINO-3-CHLOROBENZAMIDE;50961-67-6;4-Amino-3-chloro-benzamide;SCHEMBL879015;DTXSID50477869;CAKXLUKGDDPPIT-UHFFFAOYSA-N;AKOS013641624

Chemical Property of 4-Amino-3-chlorobenzamide

Chemical Property:

• PSA: 69.11000
• LogP: 2.30260
• XLogP3: 1.2
• 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%+ ^*data from raw suppliers

4-Amino-3-chlorobenzamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1C(=O)N)Cl)N

Technology Process of 4-Amino-3-chlorobenzamide

There total 4 articles about 4-Amino-3-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: 63.0%

4-amino-3-chlorobenzonitrile (21803-75-8) → 4-amino-3-chlorobenzamide (50961-67-6)

Guidance literature:

With sodium hydroxide; dihydrogen peroxide; tetra(n-butyl)ammonium hydrogensulfate; In acetone; at 30 - 40 ℃; for 1.5h;

DOI:10.1002/anie.200502468

Reference yield: 62.3%

1-amino-2-chloro-4-carboethoxybenzene (82765-44-4) → 4-amino-3-chlorobenzamide (50961-67-6)

Guidance literature:

With ammonium hydroxide; In water; at 50 ℃; for 72h; Sealed tube;

Reference yield:

methyl 4-amino-3-chlorobenzoate (84228-44-4) → 4-amino-3-chlorobenzamide (50961-67-6) + 4-amino-3-chlorobenzoic acid (2486-71-7)

Guidance literature:

With ammonia; In water; at 70 ℃;

upstream raw materials:

4-amino-3-chlorobenzonitrile

methyl 4-amino-3-chlorobenzoate

1-amino-2-chloro-4-carboethoxybenzene

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