(2S)-2-amino-4,4,4-trifluorobutanoic acid

Base Information

• Chemical Name: (2S)-2-amino-4,4,4-trifluorobutanoic acid
• CAS No.: 15960-05-1
• Molecular Formula: C₄H₆F₃NO₂
• Molecular Weight: 157.092
• Hs Code.: 29224985
• European Community (EC) Number: 670-516-4
• Nikkaji Number: J283.026D
• Wikidata: Q27453757
• Mol file: 15960-05-1.mol

Synonyms:15960-05-1;(2S)-2-amino-4,4,4-trifluorobutanoic acid;(S)-2-Amino-4,4,4-trifluorobutanoic acid;Butanoic acid, 2-amino-4,4,4-trifluoro-, (2S)-;4,4,4-Trifluoro-L-Abu-OH;SCHEMBL4533762;MFCD17676355;AKOS027320905;(S)-2-Amino-4,4,4-trifluorobutanoicacid;CS-0119487;(2s)-2-amino-4,4,4-trifluorobu-tanoic acid;E85184;EN300-317253;Q27453757;(S)-2-Amino-4,4,4-trifluorobutyric acid (H-L-Ala(CF3)-OH)

Chemical Property of (2S)-2-amino-4,4,4-trifluorobutanoic acid

Chemical Property:

• Vapor Pressure: 0.321mmHg at 25°C
• Melting Point: 260-265oC
• Boiling Point: 185.2°Cat760mmHg
• Flash Point: 65.8°C
• PSA: 63.32000
• Density: 1.432g/cm³
• LogP: 1.05100
• XLogP3: -1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 157.03506292
• Heavy Atom Count: 10
• Complexity: 133

Purity/Quality:

98% ^*data from raw suppliers

(S)-2-Amino-4,4,4-trifluorobutanoicacid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of (2S)-2-amino-4,4,4-trifluorobutanoic acid

There total 6 articles about (2S)-2-amino-4,4,4-trifluorobutanoic 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: 97.0%

2-Acetylamino-4,4,4-trifluoro-butyric acid (120097-65-6) → α-amino-γ,γ,γ-trifluorobutyrate (15960-05-1)

Guidance literature:

DOI:10.1016/S0040-4020(01)86044-0

Reference yield: 66.3%

(S)-2-(benzyloxycarbonylamino)-4,4,4-trifluorobutanoic acid → α-amino-γ,γ,γ-trifluorobutyrate (15960-05-1)

Guidance literature:

With palladium 10% on activated carbon; hydrogen; In methanol; at 20 ℃; for 2h;

Reference yield: 43.0%

C5H9F3N2O*H(1+) → α-amino-γ,γ,γ-trifluorobutyrate (15960-05-1)

Guidance literature:

With hydrogenchloride; Dowex 50W; In toluene; at 110 ℃;

upstream raw materials:

N-(2-Trifluoracetylamino-4,4,4-trifluor-L-butyryl)-L-glutaminsaeure-dimethylester

2-Acetylamino-4,4,4-trifluoro-butyric acid

Downstream raw materials:

(2S)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4,4,4-trifluorobutanoic acid

Refernces

• 1、 -. "MODULATORS OF SESTRIN-GATOR2 INTERACTION AND USES THEREOF". Paragraph 00183; 00188; 00189. . Retrieved 2018/11/22.
• 2、 Chiu, Hsien-Po,Suzuki, Yuta,Gullickson, Donald,Ahmad, Raheel,Kokona, Bashkim,Fairman, Robert,Cheng, Richard P.. "Helix propensity of highly fluorinated amino acids". . p. 15556 - 15557. Retrieved 2007/10/03.