ethyl (3S)-4,4,4-trifluoro-3-methylbutanoate

Base Information

• Chemical Name: ethyl (3S)-4,4,4-trifluoro-3-methylbutanoate
• CAS No.: 85571-87-5
• Molecular Formula: C₇H₁₁F₃O₂
• Molecular Weight: 184.158
• DSSTox Substance ID: DTXSID301188783
• Mol file: 85571-87-5.mol

Synonyms:ethyl (3S)-4,4,4-trifluoro-3-methylbutanoate;SCHEMBL1237869;SRVTXLPAWBTQSA-YFKPBYRVSA-N;DTXSID301188783;Butanoic acid, 4,4,4-trifluoro-3-methyl-, ethyl ester, (S)-;85571-87-5

Chemical Property of ethyl (3S)-4,4,4-trifluoro-3-methylbutanoate

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 184.07111408
• Heavy Atom Count: 12
• Complexity: 153

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC(=O)CC(C)C(F)(F)F
• Isomeric SMILES: CCOC(=O)C[C@H](C)C(F)(F)F

Technology Process of ethyl (3S)-4,4,4-trifluoro-3-methylbutanoate

There total 1 articles about ethyl (3S)-4,4,4-trifluoro-3-methylbutanoate 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%

(E)-3-trifluoromethyl-2-butenoic acid ethyl ester (691-77-0) → (R)-4,4,4-Trifluoro-3-methyl-butyric acid ethyl ester (6975-13-9,85571-87-5,95853-67-1)

Guidance literature:

With baker's yeast; soluble starch; In water; for 168h; Ambient temperature;

DOI:10.1246/cl.1983.237

upstream raw materials:

(E)-3-trifluoromethyl-2-butenoic acid ethyl ester