2-Amino-6-chlorobenzoic acid

Base Information

• Chemical Name: 2-Amino-6-chlorobenzoic acid
• CAS No.: 2148-56-3
• Molecular Formula: C7H6ClNO2
• Molecular Weight: 171.583
• Hs Code.: 29224999
• European Community (EC) Number: 218-416-8
• NSC Number: 17189
• DSSTox Substance ID: DTXSID40175761
• Nikkaji Number: J80.401K
• Wikidata: Q72434275
• Mol file: 2148-56-3.mol

Synonyms:2-amino-6-chlorobenzoic acid;6CABA cpd

Chemical Property of 2-Amino-6-chlorobenzoic acid

Chemical Property:

• Appearance/Colour: white to light yellow crystal powder
• Vapor Pressure: 3.61E-05mmHg at 25°C
• Melting Point: 158-160 °C(lit.)
• Refractive Index: 1.5560 (estimate)
• Boiling Point: 339.3 °C at 760 mmHg
• PKA: 0.97±0.10(Predicted)
• Flash Point: 159 °C
• PSA: 63.32000
• Density: 1.476 g/cm³
• LogP: 2.20160
• Storage Temp.: Room temperature.
• Water Solubility.: Very soluble in water. Soluble in methanol.
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 171.0087061
• Heavy Atom Count: 11
• Complexity: 163

Purity/Quality:

99% ^*data from raw suppliers

2-Amino-6-chlorobenzoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C(=C1)Cl)C(=O)O)N
• Uses: 2-Amino-6-chlorobenzoic acid is used as intermediate for medicine.

Technology Process of 2-Amino-6-chlorobenzoic acid

There total 13 articles about 2-Amino-6-chlorobenzoic 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: 99.5%

2-[(tert-butoxycarbonyl)amino]-6-chlorobenzoic acid (616224-61-4) → 2-chloro-6-aminobenzoic acid (2148-56-3)

Guidance literature:

With hydrogenchloride; In 1,4-dioxane; water; at 90 ℃; for 1h; under 760.051 Torr; Temperature;

Reference yield: 94.0%

2-amino-6-chlorobenzonitrile (6575-11-7) → 2-chloro-6-aminobenzoic acid (2148-56-3)

Guidance literature:

With dihydrogen peroxide; potassium hydroxide; Reflux;

Reference yield: 90.0%

2-chloro-6-nitrobenzoic acid (5344-49-0) → 2-chloro-6-aminobenzoic acid (2148-56-3)

Guidance literature:

With potassium bisulfite; cerium(III) chloride; potassium chloride; 2-methoxy-phenol; In ethanol; at 65 ℃; for 8h; Time;

upstream raw materials:

4-chloroisatin

2-benzoylamino-6-chloro-benzoic acid

2-chloro-6-nitrobenzoic acid

2-(acetylamino)-6-chlorobenzoic acid

Downstream raw materials:

methyl 6-chloroanthranilate

2-(4-oxo-5-(2-thienylidene)-thiazolidin-2-ylideneamino)-3-chlorobenzoic acid

4-chloro-1,3-dihydro-2H-benzoimidazol-2-one

2-chloro-6-iodobenzoic acid

Refernces

• 1、 -. "HETEROARYL DERIVATIVE OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSTION FOR PREVENTING OR TREATING DISEASES ASSOCIATED WITH PI3 KINASES, CONTAINING SAME AS ACTIVE INGREDIENT". Paragraph 0439-0441. . Retrieved 2018/04/26.
• 2、 -. "Pharmaceutical intermediates of a kind of double-chlorine Xilin 2 - amino -6 - chlorobenzoic acid synthesis method (by machine translation)". Paragraph 0023; 0024; 0025; 0026; 0027; 0047; 0048-0050. . Retrieved 2017/01/02.