6-Chloro-3,4-dihydro-4-methyl-3-oxo-2H-1,4-benzoxanine-8-carboxylicacid

CAS: 123040-79-9

Ref. 3D-FC149421

Product Information

• Name: 6-Chloro-3,4-dihydro-4-methyl-3-oxo-2H-1,4-benzoxanine-8-carboxylicacid
• Synonyms: 2H-1,4-Benzoxanine-8-Carboxylicacid-6-Chloro-3,4-Dihydro-4-Methyl-3-Oxo-, 2H-1,4-Benzoxazine-8-carboxylic acid, 6-chloro-3,4-dihydro-4-methyl-3-oxo-, 6-Chloro-3,4-Dihydro-4-Methyl-3-Oxo-2H-1,4-Benzoxanine-8-Carboxylic Acid, 6-Chloro-3,4-dihydro-4-methyl-3-oxo-2H-1,4-benzoxazine-8-carboxylic acid, 6-Chloro-3,4-dihydro-4-methyl-3-oxo-2h-1,4-benzoxazine-8-aarboxylicacid, 6-chloro-3,4-dihydro-4-methyl-3-oxo-2H-benzo[b][1,4]oxazine-8-carboxylic acid, 6-chloro-4-methyl-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-8-carboxylic acid
• CAS: 123040-79-9

Description

6-Chloro-3,4-dihydro-4-methyl-3-oxo-2H-1,4-benzoxanine-8-carboxylicacid is a synthetic intermediate in the synthesis of azasetron. The synthesis starts with the esterification of methyl chloroacetate with hydrochloric acid to form methyl chloroacetate. This is then reacted with ammonium chloride and toluene to give 6,6'-dimethylbenzo[b]thiophene. The final step in the synthesis is the reaction of 6,6'-dimethylbenzo[b]thiophene with ammonium chloride in acid methyl chloride to form 6,6'-dimethoxy-[1,4]benzoxazin.

• Brand: Biosynth

Chemical properties

• Molecular weight: 241.63 g/mol
• Formula: C₁₀H₈ClNO₄
• Purity: Min. 95%
• InChI: InChI=1S/C10H8ClNO4/c1-12-7-3-5(11)2-6(10(14)15)9(7)16-4-8(12)13/h2-3H,4H2,1H3,(H,14,15)
• InChI key: InChIKey=ZTIKBJABRWRXFK-UHFFFAOYSA-N
• SMILES: CN1C(=O)COc2c(C(=O)O)cc(Cl)cc21