774178-39-1

Basic information

• Product Name: (R)-3-AMINO-3-(4-TRIFLUOROMETHYL-PHENYL)-PROPIONIC ACID
• Synonyms: H-D-BETA-PHE(4-CF3)-OH;L-BETA-HOMO(4-TRIFLUOROMETHYLPHENYL)GLYCINE;H-PHG(4-CF 3)-(C*CH2)OH;(R)-BETA-(P-TRIFLUOROMETHYLPHENYL)ALANINE;(R)-3-AMINO-3-(4-TRIFLUOROMETHYL-PHENYL)-PROPIONIC ACID;(R)-3-AMINO-3-[4-(TRIFLUOROMETHYL)PHENYL]PROPANOIC ACID;(R)-3-(P-TRIFLUOROMETHYLPHENYL)-BETA-ALANINE ;H-D-b-Phe(4-CF3)-OH
• CAS NO: 774178-39-1
• Molecular Formula: C10H10F3NO2
• Molecular Weight: 233.19
• Product Categories: 3-Amino-3-phenylpropanoic Acid Analogs;B-Amino
• Mol File: 774178-39-1.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 317 °C at 760 mmHg
• Flash Point: 145.5 °C
• Appearance: /
• Density: 1.361 g/cm³
• Vapor Pressure: 0.000166mmHg at 25°C
• Refractive Index: 1.501
• Storage Temp.: 2-8°C
• CAS DataBase Reference: (R)-3-AMINO-3-(4-TRIFLUOROMETHYL-PHENYL)-PROPIONIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: (R)-3-AMINO-3-(4-TRIFLUOROMETHYL-PHENYL)-PROPIONIC ACID(774178-39-1)
• EPA Substance Registry System: (R)-3-AMINO-3-(4-TRIFLUOROMETHYL-PHENYL)-PROPIONIC ACID(774178-39-1)

Safety Data

• Hazardous Substances Data: 774178-39-1(Hazardous Substances Data)

Usage

General Description

(R)-3-AMINO-3-(4-TRIFLUOROMETHYL-PHENYL)-PROPIONIC ACID is a chemical compound with the molecular formula C11H12F3NO2. It is a white or off-white crystalline powder with a melting point of 95-98°C. (R)-3-AMINO-3-(4-TRIFLUOROMETHYL-PHENYL)-PROPIONIC ACID is commonly used as a pharmaceutical intermediate and in the synthesis of various drugs. It has also been studied for its potential therapeutic applications, including as an anti-inflammatory and analgesic agent. Additionally, it is known to exhibit activity as a γ-aminobutyric acid (GABA) receptor agonist, which may contribute to its pharmacological effects. However, further research is needed to fully understand its mechanisms and potential medical uses.

InChI:InChI=1/C10H10F3NO2/c11-10(12,13)7-3-1-6(2-4-7)8(14)5-9(15)16/h1-4,8H,5,14H2,(H,15,16)/t8-/m1/s1

Upstream product

• 933674-13-6 3-amino-3-(4-trifluoromethylphenyl)propionic acid methyl ester 
• 455-19-6 4-Trifluoromethylbenzaldehyde 
• 141-82-2 malonic acid 

Relevant articles and documents

Phenyl-oxamideHIV-1 inhibitors and preparation method and application thereof

The invention relates to phenyl-oxamideHIV-1 inhibitors and a preparation method and application thereof. Compounds have the structure shown in the formula I. The invention further relates to drug compositions containing the compounds with the structure s

Stereoselective chemoenzymatic preparation of β-amino esters: Molecular modelling considerations in lipase-mediated processes and application to the synthesis of (S)-dapoxetine

A wide range of optically active 3-amino-3-arylpropanoic acid derivatives have been prepared by means of a stereoselective chemoenzymatic route. The key step is the kinetic resolution of the corresponding β-amino esters. Although the enzymatic acylations of the amino group with ethyl methoxyacetate showed synthetically useful enantioselectivities, the hydrolyses of the ester group catalyzed by lipase from Pseudomonas cepacia have been identified as the optimal processes concerning both activity and enantioselectivity. The enantiopreference of this lipase in these reactions has been explained, at the molecular level, by using a fragment-based approach in which the most favoured binding site for a phenyl ring and the most stable conformation of the 3-aminopropanoate core nicely match the (S)-configuration of the major products. The conversion and enantioselectivity values of the enzymatic reactions have been compared in order to understand the influence of the different substitution patterns present in the phenyl ring. This chemoenzymatic route has been successfully applied to the preparation of a valuable intermediate in the synthesis of (S)-dapoxetine, which has been chemically synthesised in excellent optical purity.