5-[4-(1,1-DIMETHYLETHYL)PHENYL]-3-ISOXAZOLECARBOXYLIC ACID ETHYL ESTER

Base Information

• Chemical Name: 5-[4-(1,1-DIMETHYLETHYL)PHENYL]-3-ISOXAZOLECARBOXYLIC ACID ETHYL ESTER
• CAS No.: 81465-76-1
• Molecular Formula: C₁₆H₁₉NO₃
• Molecular Weight: 273.332
• Mol file: 81465-76-1.mol

Synonyms:5-[4-(1,1-DIMETHYLETHYL)PHENYL]-3-ISOXAZOLECARBOXYLIC ACID ETHYL ESTER

Chemical Property of 5-[4-(1,1-DIMETHYLETHYL)PHENYL]-3-ISOXAZOLECARBOXYLIC ACID ETHYL ESTER

Chemical Property:

• PSA: 52.33000
• LogP: 3.81580

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 5-[4-(1,1-DIMETHYLETHYL)PHENYL]-3-ISOXAZOLECARBOXYLIC ACID ETHYL ESTER

There total 9 articles about 5-[4-(1,1-DIMETHYLETHYL)PHENYL]-3-ISOXAZOLECARBOXYLIC ACID ETHYL ESTER 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%

ethyl (Z)-4-(4-(tert-butyl)phenyl)-2-fluoro-4-oxobut-2-enoate → ethyl 5-(4-(tert-butyl)phenyl)isoxazole-3-carboxylate (81465-76-1)

Guidance literature:

With sodium azide; In acetonitrile; at 80 ℃; for 3h; Schlenk technique;

DOI:10.1016/j.tetlet.2021.153052

Reference yield: 82.0%

ethyl (2Z)-4-[4-(1,1-dimethylethyl)phenyl]-2-hydroxy-4-oxo-2-butenoate (852814-91-6) → ethyl 5-(4-(tert-butyl)phenyl)isoxazole-3-carboxylate (81465-76-1)

Guidance literature:

With hydroxylamine hydrochloride; In acetonitrile; at 70 ℃; for 3h;

DOI:10.1021/acs.joc.9b03399

Reference yield:

ethyl 4-(4-(tert-butyl)phenyl)-2,4-dioxobutanoate → ethyl 5-(4-(tert-butyl)phenyl)isoxazole-3-carboxylate (81465-76-1)

Guidance literature:

With hydroxylamine hydrochloride; In ethanol; for 3h; Heating / reflux;

upstream raw materials:

4-chlorobenzaldehyde

1-(p-chlorophenyl)ethyl alcohol

1-(4-tert-butylphenyl)ethanol

4'-t-butylacetophenone