(3S)-3-amino-3-[4-(trifluoromethyl)phenyl]propanoic acid

Base Information

• Chemical Name: (3S)-3-amino-3-[4-(trifluoromethyl)phenyl]propanoic acid
• CAS No.: 790203-84-8
• Molecular Formula: C₁₀H₁₀F₃NO₂
• Molecular Weight: 233.19
• Hs Code.: 2922499990
• European Community (EC) Number: 675-879-2
• DSSTox Substance ID: DTXSID80363266
• Nikkaji Number: J2.350.070A
• Wikidata: Q72442821
• ChEMBL ID: CHEMBL5024607
• Mol file: 790203-84-8.mol

Synonyms:790203-84-8;(s)-3-amino-3-(4-(trifluoromethyl)phenyl)propanoic acid;(3S)-3-amino-3-[4-(trifluoromethyl)phenyl]propanoic acid;(s)-3-(p-trifluoromethylphenyl)-beta-alanine;(s)-3-amino-3-[4-(trifluoromethyl)phenyl]propanoic acid;(s)-3-amino-3-(4-trifluoromethylphenyl)propionic acid;(S)-beta-(p-Trifluoromethylphenyl)alanine;(3S)-3-azaniumyl-3-[4-(trifluoromethyl)phenyl]propanoate;(S)-beta-(4-Trifluoromethylphenyl)alanine;h-beta-phe(4-cf3)-oh;(S)-3-Amino-3-(4-(trifluoromethyl)phenyl)propanoicacid;CHEMBL5024607;h-d-phg(4-cf3)-(c*ch2)oh;DTXSID80363266;MFCD04113700;AKOS010394517;AC-22063;AS-38518;CS-0021638;EN300-135299;(s)-3-amino-3-(4-trifluoromethylphenyl)propanoic acid;s-3-amino-3-(4-trifluoromethyl-phenyl)-propionic acid;(s)-3-amino-3-(4-trifluoromethyl-phenyl)-propanoic acid

Chemical Property of (3S)-3-amino-3-[4-(trifluoromethyl)phenyl]propanoic acid

Chemical Property:

• Vapor Pressure: 0.000166mmHg at 25°C
• Refractive Index: 1.501
• Boiling Point: 311.5 °C at 760 mmHg
• Flash Point: 142.2 °C
• PSA: 63.32000
• Density: 1.364 g/cm³
• LogP: 2.88020
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 233.06636305
• Heavy Atom Count: 16
• Complexity: 247

Purity/Quality:

97% ^*data from raw suppliers

(S)-3-Amino-3-(4-trifluoromethylphenyl)propionicAcid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C(CC(=O)O)N)C(F)(F)F
• Isomeric SMILES: C1=CC(=CC=C1[C@H](CC(=O)O)N)C(F)(F)F

Technology Process of (3S)-3-amino-3-[4-(trifluoromethyl)phenyl]propanoic acid

There total 1 articles about (3S)-3-amino-3-[4-(trifluoromethyl)phenyl]propanoic 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:

3-amino-3-(4-trifluoromethylphenyl)propionic acid methyl ester (933674-13-6) → (R)-methyl 3-amino-3-(4-(trifluoromethyl)phenyl)propanoate (1228543-08-5) + C10H10F3NO2 (790203-84-8,774178-39-1)

Guidance literature:

With Pseudomonas cepacia lipase immobilized on a ceramic support; water; In 1,4-dioxane; at 45 ℃; for 64.5h; optical yield given as %ee; stereoselective reaction; Enzymatic reaction;

DOI:10.1002/adsc.200900676

Reference yield:

methanol (67-56-1) + C10H10F3NO2 (790203-84-8,774178-39-1) → C11H12F3NO2

Guidance literature:

With hydrogenchloride; In water; for 12h; Reflux;

DOI:10.1002/adsc.200900676

upstream raw materials:

3-amino-3-(4-trifluoromethylphenyl)propionic acid methyl ester

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