5-Amino-2,4-dichlorobenzoic acid

Base Information

• Chemical Name: 5-Amino-2,4-dichlorobenzoic acid
• CAS No.: 19861-63-3
• Molecular Formula: C7H5Cl2NO2
• Molecular Weight: 206.028
• Hs Code.: 2922499990
• ChEMBL ID: CHEMBL3989158
• DSSTox Substance ID: DTXSID10409424
• Nikkaji Number: J82.906D
• Wikidata: Q82215252
• Mol file: 19861-63-3.mol

Synonyms:5-amino-2,4-dichlorobenzoic acid;19861-63-3;5-Amino-2,4-dichlorobenzoicacid;5-Amino-2,4-dichloro-benzoic acid;SCHEMBL612667;CHEMBL3989158;DTXSID10409424;GWQAKTJQXQZZNO-UHFFFAOYSA-N;2,4-Dichloro-5-aminobenzoic acid;AMY14612;MFCD05811316;AKOS000109339;SB77663;AS-33105;BB 0245370;EN300-1254881;A856759

Chemical Property of 5-Amino-2,4-dichlorobenzoic acid

Chemical Property:

• Melting Point: 196-197 °C
• Boiling Point: 378.8±42.0 °C(Predicted)
• PKA: 2.82±0.25(Predicted)
• PSA: 63.32000
• Density: 1.607±0.06 g/cm3(Predicted)
• LogP: 2.85500
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 204.9697338
• Heavy Atom Count: 12
• Complexity: 188

Purity/Quality:

99% HPLC ^*data from raw suppliers

5-Amino-2,4-dichlorobenzoicacid 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(C(=CC(=C1N)Cl)Cl)C(=O)O

Technology Process of 5-Amino-2,4-dichlorobenzoic acid

There total 4 articles about 5-Amino-2,4-dichlorobenzoic 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: 97.0%

methyl 5-amino-2,4-dichlorobenzoate (84228-48-8) → 5-amino-2,4-dichlorobenzoic acid (19861-63-3)

Guidance literature:

With water; sodium hydroxide; In methanol; at 20 ℃; for 18h;

Reference yield: 96.0%

2,4-dichloro-5-nitrobenzoic acid (19861-62-2) → 5-amino-2,4-dichlorobenzoic acid (19861-63-3)

Guidance literature:

With tin(II) chloride monohydrate; In ethanol; at 20 - 70 ℃; for 5.5h;

Reference yield:

methyl 2,4-dichlorobenzoate (35112-28-8) → 5-amino-2,4-dichlorobenzoic acid (19861-63-3)

Guidance literature:

Multi-step reaction with 3 steps

1: sulfuric acid; nitric acid / 18 h / 0 - 20 °C

2: iron; hydroxylamine hydrochloride / water; methanol / 18 h / 90 °C / Inert atmosphere

3: sodium hydroxide; water / methanol / 18 h / 20 °C

With sulfuric acid; hydroxylamine hydrochloride; water; nitric acid; iron; sodium hydroxide; In methanol; water;

upstream raw materials:

2,4-dichloro-5-nitrobenzoic acid

methyl 5-amino-2,4-dichlorobenzoate

methyl 2,4-dichlorobenzoate

Downstream raw materials:

5-acetamido-2,4-dichlorobenzoic acid

2,4-dichloro-N-(6-(3-(4-methylpiperazin-1-yl)propylsulfonyl)benzo[d]thiazol-2-ylcarbamoyl)-5-(1H-pyrazol-1-yl)benzamide

2,4-dichloro-5-(1H-pyrazol-1-yl)benzamide

methyl 2,4-dichloro-5-(1H-pyrazol-1-yl)benzoate

Refernces

• 1、 -. "QUINAZOLINONE COMPOUNDS". Page/Page column 29-30. . Retrieved 2010/07/09.
• 2、 -. "NEUROLOGICALLY-ACTIVE COMPOUNDS". Page 123-124. . Retrieved 2010/02/06.