3-Amino-5-chloro-2-nitrobenzoic acid

Base Information

• Chemical Name: 3-Amino-5-chloro-2-nitrobenzoic acid
• CAS No.: 193481-78-6
• Molecular Formula: C7H5ClN2O4
• Molecular Weight: 216.581
• DSSTox Substance ID: DTXSID30444034
• Nikkaji Number: J1.150.583J
• Wikidata: Q82262037
• Mol file: 193481-78-6.mol

Synonyms:3-Amino-5-chloro-2-nitrobenzoic acid;193481-78-6;Benzoic acid, 3-amino-5-chloro-2-nitro-;SCHEMBL1116034;DTXSID30444034;STWBZTCBIRBNHV-UHFFFAOYSA-N;AKOS027326041;AT15647

Chemical Property of 3-Amino-5-chloro-2-nitrobenzoic acid

Chemical Property:

• PSA: 109.14000
• LogP: 2.63300
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 215.9937843
• Heavy Atom Count: 14
• Complexity: 255

Purity/Quality:

3-Amino-5-chloro-2-nitrobenzoicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C=C(C(=C1C(=O)O)[N+](=O)[O-])N)Cl

Technology Process of 3-Amino-5-chloro-2-nitrobenzoic acid

There total 1 articles about 3-Amino-5-chloro-2-nitrobenzoic acid 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: 78.0%

5-chloro-2-nitrobenzoic acid (2516-95-2) → 3-Amino-5-chloro-2-nitrobenzoic acid (193481-78-6)

Guidance literature:

With O-Methylhydroxylamin; potassium tert-butylate; copper diacetate; In 1,2-dimethoxyethane; at 20 ℃;

DOI:10.1039/a901537j

Reference yield: 88.5%

methanol (67-56-1) + 3-Amino-5-chloro-2-nitrobenzoic acid (193481-78-6) → 3-amino-5-chloro-2-nitrobenzoic acid methyl ester (874301-23-2)

Guidance literature:

With sulfuric acid; In water; for 3h; Reflux;

Reference yield:

3-Amino-5-chloro-2-nitrobenzoic acid (193481-78-6) + methyl iodide (74-88-4) → 3-amino-5-chloro-2-nitrobenzoic acid methyl ester (874301-23-2)

Guidance literature:

3-Amino-5-chloro-2-nitrobenzoic acid; methyl iodide; With potassium carbonate; In DMF (N,N-dimethyl-formamide); at 20 - 60 ℃; for 0.166667h; Microwave irradiation;

With hydrogenchloride; In water; at 20 ℃;

upstream raw materials:

5-chloro-2-nitrobenzoic acid

Downstream raw materials:

3-amino-5-chloro-2-nitrobenzoic acid methyl ester

3-amino-5-(4-methylpiperazin-1-yl)-2-nitrobenzoic acid methyl ester

2'-(4-hydroxyphenyl)-6-(4-methylpiperazin-1-yl)-1H,3'H-2,5'-bibenzoimidazoyl-4-carboxylic acid

2'-(4-hydroxy-phenyl)-6-(4-methyl-piperazin-1-yl)-1H,3'H-[2,5']bibenzoimidazolyl-4-carboxylic acid methyl ester