Z-2-Bromo-4,4,4-trifluorbutenoic acid, ethyl ester

Base Information

• Chemical Name: Z-2-Bromo-4,4,4-trifluorbutenoic acid, ethyl ester
• CAS No.: 136264-28-3
• Molecular Formula: C6H6BrF3O2
• Molecular Weight: 247.012
• Mol file: 136264-28-3.mol

Synonyms:LogP

Chemical Property of Z-2-Bromo-4,4,4-trifluorbutenoic acid, ethyl ester

Chemical Property:

• Vapor Pressure: 0.249mmHg at 25°C
• Refractive Index: 1.428
• Boiling Point: 205.5 °C at 760 mmHg
• Flash Point: 78.1 °C
• PSA: 26.30000
• Density: 1.603 g/cm³
• LogP: 2.39060

Purity/Quality:

99% ^*data from raw suppliers

Ethyl 2-bromo-4,4,4-trifluorobut-2-enoate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Z-2-Bromo-4,4,4-trifluorbutenoic acid, ethyl ester

There total 2 articles about Z-2-Bromo-4,4,4-trifluorbutenoic 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:

ethyl 2,3-dibromo-4,4,4-trifluorobutenoate (363-57-5) → ethyl (Z)-2-bromo-4,4,4-trifluorobut-2-enoate (136264-28-3)

Guidance literature:

With triethylamine; In diethyl ether; at 10 - 20 ℃; regioselective reaction;

DOI:10.1002/ejoc.202000394

Reference yield:

ethyl 4,4,4-trifluorocrotonate (25597-16-4) → ethyl (Z)-2-bromo-4,4,4-trifluorobut-2-enoate (136264-28-3)

Guidance literature:

Multi-step reaction with 2 steps

1: bromine / chloroform / 10 - 20 °C

2: triethylamine / diethyl ether / 10 - 20 °C

With bromine; triethylamine; In diethyl ether; chloroform;

DOI:10.1002/ejoc.202000394

Reference yield: 70.0%

ethyl (Z)-2-bromo-4,4,4-trifluorobut-2-enoate (136264-28-3) + benzylamine (100-46-9) → ethyl 1-benzyl-3-(trifluoromethyl)aziridine-2-carboxylate

Guidance literature:

With triethylamine; In ethanol; at 20 ℃;

DOI:10.1016/j.jfluchem.2021.109946

upstream raw materials:

ethyl 4,4,4-trifluorocrotonate

ethyl 2,3-dibromo-4,4,4-trifluorobutenoate

Downstream raw materials:

1-(phenylmethyl)-3-(trifluoromethyl)-1H-pyrazol-5-ol

Refernces