Ethyl 2-bromo-3,3,3-trifluoropropanoate

Base Information

• Chemical Name: Ethyl 2-bromo-3,3,3-trifluoropropanoate
• CAS No.: 108221-68-7
• Molecular Formula: C₅H₆BrF₃O₂
• Molecular Weight: 235.001
• Hs Code.: 2915907098
• European Community (EC) Number: 802-223-6
• Mol file: 108221-68-7.mol

Synonyms:ethyl 2-bromo-3,3,3-trifluoropropanoate;108221-68-7;Ethyl 2-bromo-3,3,3-trifluoropropionate;MFCD18641866;Propanoic acid, 2-bromo-3,3,3-trifluoro-, ethyl ester;Ethyl (R)-2-bromo-3,3,3-trifluoropropanoate;2741708-11-0;AKOS007930428;SB13844;MS-20496;SY344655;SY344657;CS-0365309

Chemical Property of Ethyl 2-bromo-3,3,3-trifluoropropanoate

Chemical Property:

• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 233.95033
• Heavy Atom Count: 11
• Complexity: 145

Purity/Quality:

97% ^*data from raw suppliers

Ethyl2-Bromo-3,3,3-trifluoropropanoate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)C(C(F)(F)F)Br

Technology Process of Ethyl 2-bromo-3,3,3-trifluoropropanoate

There total 5 articles about Ethyl 2-bromo-3,3,3-trifluoropropanoate 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: 68.0%

ethyl 2,3-dibromo-3,3-difluoropropanoate (115191-44-1) → ethyl 2-bromo-3,3,3-trifluoropropanoate (108221-68-7)

Guidance literature:

With tetrabutyl ammonium fluoride; In tetrahydrofuran; at 0 ℃;

DOI:10.1016/S0022-1139(00)82015-1

Reference yield:

ethyl-1,3-dibromo-3,3-difluoropropyl ether (1993-81-3) → ethyl 2-bromo-3,3,3-trifluoropropanoate (108221-68-7)

Guidance literature:

Multi-step reaction with 4 steps

1: 1 h / 0 °C

2: 75 percent / Caro's acid / ethanol / 1.) 5-10 deg C; 2.) room temperature, 1 day

4: 68 percent / tetrabutylammonium fluoride / tetrahydrofuran / 0 °C

With caro's acid; tetrabutyl ammonium fluoride; In tetrahydrofuran; ethanol;

DOI:10.1016/S0022-1139(00)82015-1

Reference yield:

Diethyl 3-bromo-3,3-difluoropropanal diethyl acetal (1645-58-5) → ethyl 2-bromo-3,3,3-trifluoropropanoate (108221-68-7)

Guidance literature:

Multi-step reaction with 3 steps

1: 75 percent / Caro's acid / ethanol / 1.) 5-10 deg C; 2.) room temperature, 1 day

3: 68 percent / tetrabutylammonium fluoride / tetrahydrofuran / 0 °C

With caro's acid; tetrabutyl ammonium fluoride; In tetrahydrofuran; ethanol;

DOI:10.1016/S0022-1139(00)82015-1

upstream raw materials:

ethyl 2,3-dibromo-3,3-difluoropropanoate

ethyl-1,3-dibromo-3,3-difluoropropyl ether

Diethyl 3-bromo-3,3-difluoropropanal diethyl acetal

ethyl β,β-difluoroacrylate

Downstream raw materials:

α-Phenyl-γ-trifluoromethyltetronic acid