(S)-4,4,4-Trifluoro-3-hydroxybutyric acid

Base Information

• Chemical Name: (S)-4,4,4-Trifluoro-3-hydroxybutyric acid
• CAS No.: 128899-79-6
• Molecular Formula: C₄H₅F₃O₃
• Molecular Weight: 158.077
• Hs Code.: 2915601990
• European Community (EC) Number: 691-613-8
• Nikkaji Number: J1.079.594J
• Mol file: 128899-79-6.mol

Synonyms:(S)-4,4,4-Trifluoro-3-hydroxybutyric acid;128899-79-6;(3S)-4,4,4-trifluoro-3-hydroxybutanoic acid;(S)-4,4,4-Trifluoro-3-hydroxybutanoic Acid;MFCD03093017;(3S)-3-Hydroxy-4,4,4-trifluorobutyric acid;Butanoicacid, 4,4,4-trifluoro-3-hydroxy-, (3S)-;SCHEMBL1967208;ASQMUMZEQLWJRC-REOHCLBHSA-N;AKOS005063872;(R)-3-Hydroxy-4,4,4-trifluorobutyric acid;CS-0344978;(3S)-3-Hydroxy-4,4,4-trifluorobutanoic acid;EN300-1932684;Butanoicacid,4,4,4-trifluoro-3-hydroxy-,(3S)-

Chemical Property of (S)-4,4,4-Trifluoro-3-hydroxybutyric acid

Chemical Property:

• Boiling Point: 261.3±40.0 °C(Predicted)
• PKA: 3.72±0.10(Predicted)
• PSA: 57.53000
• Density: 1.527±0.06 g/cm3(Predicted)
• LogP: 0.38430
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 158.01907850
• Heavy Atom Count: 10
• Complexity: 130

Purity/Quality:

97% ^*data from raw suppliers

(S)-4,4,4-Trifluoro-3-hydroxybutyricacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (S)-4,4,4-Trifluoro-3-hydroxybutyric acid

There total 1 articles about (S)-4,4,4-Trifluoro-3-hydroxybutyric acid 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:

(1R)-1-phenylethylammonium (3S)-4,4,4-trifluoro-3-hydroxybutanoate → (S)-4,4,4-trifluoro-3-hydroxybutanoic acid (128899-79-6,108211-36-5)

Guidance literature:

With hydrogenchloride;

DOI:10.1002/hlca.200490222