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

Basic Information

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CAS Number

790203-84-8

Molecular Formula

C10H10F3NO2

Molecular Weight

233.19 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Physical State

White to Yellow Solid

Boiling Point

317°C at 760 mmHg

Density

1.361

Flash Point

145.5°C

Refractive Index

1.501

SMILES

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C1=CC(=CC=C1C(CC(=O)O)N)C(F)(F)F

InChI

InChI=1S/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-/m0/s1

InChIKey

ABDRZHVLIRZFQO-QMMMGPOBSA-N

LogP

2.1799

Topological Polar Surface Area

63.32000000000001 Å²

Hydrogen Bond Donor/Acceptor

3 / 3

Complexity

247

Safety Information

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Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

H315 Causes skin irritation
Skin corrosion/irritation

H320 Causes eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

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

MDL Number

MFCD04113700

FAQ

What are the physical and chemical properties of (3S)-3-Amino-3-[4-(trifluoromethyl)phenyl]propanoic acid (CAS: 790203-84-8)?

(3S)-3-Amino-3-[4-(trifluoromethyl)phenyl]propanoic acid is a white crystalline solid with a molecular weight of approximately 282.12 g/mol. It exhibits low solubility in water, with a solubility of about 0.004 g/100 mL at 25°C. This compound is reactive towards bases and can undergo nucleophilic substitution reactions. It is typically stable under normal conditions but should be stored in a cool, dry place to prevent hydrolysis.

How is (3S)-3-Amino-3-[4-(trifluoromethyl)phenyl]propanoic acid (CAS: 790203-84-8) typically synthesized?

(3S)-3-Amino-3-[4-(trifluoromethyl)phenyl]propanoic acid can be synthesized via a multi-step process involving protection of the amino group, formation of a trifluoromethylated phenyl ester, and subsequent deprotection to yield the desired product. Commonly, this involves the use of trifluoromethylated anhydrides as the fluorinating agent and amines as catalysts. The overall yield is typically around 70-80%.

What industries use (3S)-3-Amino-3-[4-(trifluoromethyl)phenyl]propanoic acid (CAS: 790203-84-8)?

(3S)-3-Amino-3-[4-(trifluoromethyl)phenyl]propanoic acid finds applications in the pharmaceutical industry, where it serves as a building block for the synthesis of drug molecules. It is also used in the polymer industry for the modification of polymer structures and in the development of sensors and semiconductors due to its unique chemical properties.

What precautions should be taken when handling (3S)-3-Amino-3-[4-(trifluoromethyl)phenyl]propanoic acid (CAS: 790203-84-8)?

Handling (3S)-3-Amino-3-[4-(trifluoromethyl)phenyl]propanoic acid requires appropriate personal protective equipment (PPE), including gloves, lab coat, and safety goggles. It should be conducted in a well-ventilated area or a fume hood to prevent inhalation. Spills should be cleaned up using absorbent materials and the area should be flushed with water. Always refer to the Material Safety Data Sheet (MSDS/SDS) for detailed safety and handling instructions.