(R)-3-Amino-3-(4-trifluoromethyl-phenyl)-propionic acid

Base Information

• Chemical Name: (R)-3-Amino-3-(4-trifluoromethyl-phenyl)-propionic acid
• CAS No.: 774178-39-1
• Molecular Formula: C₁₀H₁₀F₃NO₂
• Molecular Weight: 233.19
• Hs Code.: 2922499990
• DSSTox Substance ID: DTXSID20363265
• Nikkaji Number: J2.350.069H
• Mol file: 774178-39-1.mol

Synonyms:774178-39-1;(R)-3-Amino-3-(4-trifluoromethyl-phenyl)-propionic acid;(3R)-3-amino-3-[4-(trifluoromethyl)phenyl]propanoic acid;(R)-3-Amino-3-(4-(trifluoromethyl)phenyl)propanoic acid;(R)-3-Amino-3-[4-(trifluoromethyl)phenyl]propanoic acid;(R)-3-Amino-3-(4-trifluoromethylphenyl)propionic acid;4-Trifluoromethyl-L-beta-phenylalanine;DTXSID20363265;MFCD04113668;(R)--(p-Trifluoromethylphenyl)alanine;4-Trifluoromethyl-D-beta-phenylalanine;AKOS025212364;AC-22064;PS-12194;CS-0182711;EN300-151765;A865254;(2R)-3-amino-2-[4-(trifluoromethyl)phenyl]propanoic acid;(R)-3-Amino-3-(4-(trifluoromethyl)-phenyl)propanoic acid;(R)-3-Amino-3-[4-(trifluoromethyl)phenyl]propionic acid;Benzenepropanoic acid, b-amino-4-(trifluoromethyl)-, (bR)-

Chemical Property of (R)-3-Amino-3-(4-trifluoromethyl-phenyl)-propionic acid

Chemical Property:

• Vapor Pressure: 0.000166mmHg at 25°C
• Refractive Index: 1.501
• Boiling Point: 317 °C at 760 mmHg
• Flash Point: 145.5 °C
• PSA: 63.32000
• Density: 1.361 g/cm³
• LogP: 2.88020
• Storage Temp.: 2-8°C
• 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

(R)-3-Amino-3-(4-(trifluoromethyl)-phenyl)propanoicacid 97% ^*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 (R)-3-Amino-3-(4-trifluoromethyl-phenyl)-propionic acid

There total 2 articles about (R)-3-Amino-3-(4-trifluoromethyl-phenyl)-propionic 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: 76.0%

4-Trifluoromethylbenzaldehyde (455-19-6) + malonic acid (141-82-2) → C10H10F3NO2 (180263-44-9,774178-39-1)

Guidance literature:

With ammonium acetate; In methanol; Reflux;

DOI:10.1021/ml5002079

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: 91.0%

ethanol (64-17-5) + C10H10F3NO2 (180263-44-9,774178-39-1) → C12H14F3NO2*ClH

Guidance literature:

With thionyl chloride; at -15 ℃; Reflux; Inert atmosphere;

DOI:10.1021/ml5002079

upstream raw materials:

4-Trifluoromethylbenzaldehyde

malonic acid

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