4-Isoxazolecarboxylic acid, 3-(4-chlorophenyl)-5-[[(phenylmethyl)amino]methyl]-

Base Information

• Chemical Name: 4-Isoxazolecarboxylic acid, 3-(4-chlorophenyl)-5-[[(phenylmethyl)amino]methyl]-
• CAS No.: 682352-98-3
• Molecular Formula: C18H15ClN2O3
• Molecular Weight: 342.78
• Mol file: 682352-98-3.mol

Synonyms:4-Isoxazolecarboxylic acid, 3-(4-chlorophenyl)-5-[[(phenylmethyl)amino]methyl]-

Chemical Property of 4-Isoxazolecarboxylic acid, 3-(4-chlorophenyl)-5-[[(phenylmethyl)amino]methyl]-

Chemical Property:

• PSA: 75.36000
• LogP: 4.37390

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 4-Isoxazolecarboxylic acid, 3-(4-chlorophenyl)-5-[[(phenylmethyl)amino]methyl]-

There total 4 articles about 4-Isoxazolecarboxylic acid, 3-(4-chlorophenyl)-5-[[(phenylmethyl)amino]methyl]- 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: 96.0%

5-(benzylamino-methyl)-3-(4-chloro-phenyl)-isoxazole-4-carboxylic acid methyl ester (682352-89-2) → 5-(benzylamino-methyl)-3-(4-chloro-phenyl)-isoxazole-4-carboxylic acid (682352-98-3)

Guidance literature:

With potassium hydroxide; In methanol; at 20 ℃; for 2h;

DOI:10.1016/j.tet.2004.01.009

Reference yield:

methyl 3-(p-chlorophenyl)-5-methylisoxazole-4-carboxylate (68870-58-6) → 5-(benzylamino-methyl)-3-(4-chloro-phenyl)-isoxazole-4-carboxylic acid (682352-98-3)

Guidance literature:

Multi-step reaction with 3 steps

1: NBS / CCl₄ / 24 h / 40 - 45 °C / UV-irradiation

2: 69 percent / Et₃N / benzene / 1 h / Heating

3: 96 percent / aq. KOH / methanol / 2 h / 20 °C

With potassium hydroxide; N-Bromosuccinimide; triethylamine; In methanol; tetrachloromethane; benzene;

DOI:10.1016/j.tet.2004.01.009

Reference yield:

benzylamine (100-46-9) → 5-(benzylamino-methyl)-3-(4-chloro-phenyl)-isoxazole-4-carboxylic acid (682352-98-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 69 percent / Et₃N / benzene / 1 h / Heating

2: 96 percent / aq. KOH / methanol / 2 h / 20 °C

With potassium hydroxide; triethylamine; In methanol; benzene;

DOI:10.1016/j.tet.2004.01.009

upstream raw materials:

5-(benzylamino-methyl)-3-(4-chloro-phenyl)-isoxazole-4-carboxylic acid methyl ester

benzylamine

methyl 3-(p-chlorophenyl)-5-methylisoxazole-4-carboxylate

3-(4-chloro-phenyl)-5-hydroxymethyl-isoxazole-4-carboxylic acid methyl ester