3-Isoxazolecarboxylicacid,4-(hydroxymethyl)-5-(3-iodophenyl)-,ethylester(9CI)

Base Information

• Chemical Name: 3-Isoxazolecarboxylicacid,4-(hydroxymethyl)-5-(3-iodophenyl)-,ethylester(9CI)
• CAS No.: 745079-24-7
• Molecular Formula: C13H12 I N O4
• Molecular Weight: 373.147
• Mol file: 745079-24-7.mol

Synonyms:Ethyl4-(hydroxymethyl)-5-(3-iodophenyl)isoxazole-3-carboxylate

Chemical Property of 3-Isoxazolecarboxylicacid,4-(hydroxymethyl)-5-(3-iodophenyl)-,ethylester(9CI)

Chemical Property:

• PSA: 72.56000
• LogP: 2.61520

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-Isoxazolecarboxylicacid,4-(hydroxymethyl)-5-(3-iodophenyl)-,ethylester(9CI)

There total 5 articles about 3-Isoxazolecarboxylicacid,4-(hydroxymethyl)-5-(3-iodophenyl)-,ethylester(9CI) 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:

methyl chloroformate (79-22-1) + 4-tert-butyl 3-ethyl 5-(3-iodophenyl)isoxazole-3,4-dicarboxylate (745079-23-6) → ethyl 4-(hydroxymethyl)-5-(3-iodophenyl)isoxazole-3-carboxylate (745079-24-7)

Guidance literature:

With hydrogenchloride; sodium tetrahydroborate; triethylamine; trifluoroacetic acid; In tetrahydrofuran; dichloromethane; ethyl acetate;

Reference yield:

5-(3-iodo-phenyl)-4-methoxycarbonyloxycarbonyl-isoxazole-3-carboxylic acid ethyl ester → ethyl 4-(hydroxymethyl)-5-(3-iodophenyl)isoxazole-3-carboxylate (745079-24-7)

Guidance literature:

With sodium tetrahydroborate;

DOI:10.1016/j.bmcl.2004.08.063

Reference yield:

tert-butyl 3-(3-iodophenyl)-3-oxopropanoate (745079-22-5) → ethyl 4-(hydroxymethyl)-5-(3-iodophenyl)isoxazole-3-carboxylate (745079-24-7)

Guidance literature:

Multi-step reaction with 4 steps

1: Et₃N

2: TFA

3: Et₃N

4: NaBH₄

With sodium tetrahydroborate; triethylamine; trifluoroacetic acid;

DOI:10.1016/j.bmcl.2004.08.063

upstream raw materials:

tert-butyl 3-(3-iodophenyl)-3-oxopropanoate

5-(3-iodo-phenyl)-isoxazole-3,4-dicarboxylic acid 3-ethyl ester

4-tert-butyl 3-ethyl 5-(3-iodophenyl)isoxazole-3,4-dicarboxylate

methyl chloroformate

Downstream raw materials:

ethyl 4-((acetyloxy)methyl)-5-(3-{(1E)-3-(3-hydroxy-2-(methoxycarbonyl)phenoxy)prop-1-enyl}phenyl)isoxazole-3-carboxylate

ethyl 4-((acetyloxy)methyl)-5-{3-((1E)-3-hydroxyprop-1-enyl)phenyl}isoxazole-3-carboxylate

ethyl 4-((acetyloxy)methyl)-5-(3-iodophenyl)isoxazole-3-carboxylate