Methyl 2-amino-4-chlorobenzoate

CAS: 5900-58-3

Ref. 3D-FM64243

Product Information

• Name: Methyl 2-amino-4-chlorobenzoate
• Synonyms: 2-Amino-4-Chlorobenzoic Acid Methyl Ester, 2-Methoxycarbonyl-5-chloroaniline, 4-Chloroanthranilic acid methyl ester, Anthranilic acid, 4-chloro-, methyl ester, Benzoic acid, 2-amino-4-chloro-, methyl ester, Methyl 4-chloro-2-aminobenzoate, NSC 400871
• CAS: 5900-58-3

Description

Methyl 2-amino-4-chlorobenzoate is a synthetic chemical compound with the molecular formula CHClNO. This product has been used as a precursor to make other compounds, including the anticancer drug imatinib. Methyl 2-amino-4-chlorobenzoate is an impurity of imatinib that arises during synthesis. The presence of this impurity can be determined by examining the 1H NMR spectrum for the methyl resonance at 3.06 ppm and the chemical shift at 10.43 ppm for the carbonyl group. Imatinib targets protein tyrosine kinases and may have potential carcinogenic effects in humans.
Methyl 2-amino-4-chlorobenzoate is also used as an agrochemical to control weeds in crops such as wheat, barley, and corn.

• Brand: Biosynth

Chemical properties

• Molecular weight: 185.61 g/mol
• Formula: C₈H₈ClNO₂
• Color/Form: Slightly Brown Powder
• InChI: InChI=1S/C8H8ClNO2/c1-12-8(11)6-3-2-5(9)4-7(6)10/h2-4H,10H2,1H3
• InChI key: InChIKey=YPSSCICDVDOEAI-UHFFFAOYSA-N
• SMILES: COC(=O)c1ccc(Cl)cc1N