2-Amino-4-chloro-5-methylbenzoic acid

Base Information

• Chemical Name: 2-Amino-4-chloro-5-methylbenzoic acid
• CAS No.: 155184-81-9
• Molecular Formula: C8H8 Cl N O2
• Molecular Weight: 185.61
• Hs Code.: 2922499990
• European Community (EC) Number: 801-024-1
• DSSTox Substance ID: DTXSID00454988
• Wikidata: Q82276808
• Mol file: 155184-81-9.mol

Synonyms:2-AMINO-4-CHLORO-5-METHYLBENZOIC ACID;155184-81-9;2-amino-4-chloro-5-methyl-benzoic Acid;MFCD06658301;2-amino-4-chloro-5-methylbenzoicacid;SCHEMBL6584037;DTXSID00454988;FDCMZVNLUFYRAI-UHFFFAOYSA-N;CS-M1328;AKOS006227701;SB33891;AS-35684;SY238206;FT-0732901;EN300-265404;A809619;2-Amino-4-chloro-5-methylbenzoic acid, AldrichCPR;F1967-1777

Chemical Property of 2-Amino-4-chloro-5-methylbenzoic acid

Chemical Property:

• Boiling Point: 354.2 °C at 760 mmHg
• Flash Point: 168 °C
• PSA: 63.32000
• Density: 1.401 g/cm³
• LogP: 2.51000
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 185.0243562
• Heavy Atom Count: 12
• Complexity: 186

Purity/Quality:

98%min ^*data from raw suppliers

2-Amino-4-chloro-5-methyl-benzoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=C(C=C1Cl)N)C(=O)O

Technology Process of 2-Amino-4-chloro-5-methylbenzoic acid

There total 11 articles about 2-Amino-4-chloro-5-methylbenzoic 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: 93.0%

2-cyano-5-chloro-4-methylaniline (289686-80-2) → 2-amino-5-methyl-4-chlorobenzoic acid (155184-81-9)

Guidance literature:

With potassium hydroxide; dihydrogen peroxide; at 130 ℃; for 2h;

DOI:10.1021/jm011081s

Reference yield: 91.0%

4-chloro-5-methyl-N-acetylanthranilic acid (1204312-39-9) → 2-amino-5-methyl-4-chlorobenzoic acid (155184-81-9)

Guidance literature:

With sodium hydroxide; In water; for 15h; Reflux;

Reference yield: 80.0%

6-chloro-5-methylisatin (96187-75-6) → 2-amino-5-methyl-4-chlorobenzoic acid (155184-81-9)

Guidance literature:

With sodium hydroxide; dihydrogen peroxide; In water; for 0.333333h;

DOI:10.1016/S0968-0896(02)00018-4

upstream raw materials:

6-chloro-5-methylisatin

2-cyano-5-chloro-4-methylaniline

N-(3-chloro-4-methylphenyl)acetamide

2-bromo-5-chloro-4-methylaniline

Downstream raw materials:

7-chloro-6-methyl-3H-quinazolin-4-one

7-chloro-2-chloromethyl-6-methyl-3,4-dihydroquinazolin-4-one

tert-butyl 4-[N-[7-chloro-4-oxo-2-piperidin-1-ylmethyl-3-piperidinocarbonylmethyl-3,4-dihydroquinazolin-6-ylmethyl]-N-(prop-2-ynyl)amino]benzoate

4-{[7-chloro-4-oxo-3-(2-oxo-2-piperidin-1-yl-ethyl)-2-piperidin-1-ylmethyl-3,4-dihydro-quinazolin-6-ylmethyl]-prop-2-ynyl-amino}-benzoic acid

Refernces

• 1、 -. "QUINAZOLINEDIONE DERIVATIVE". . . Retrieved 2015/03/16.
• 2、 -. "Anti-quinazoline compounds". Page column 15. . Retrieved 2010/02/05.