(3S)-3-Amino-3-[2-(trifluoromethyl)phenyl]propanoic acid

Basic Information

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CAS Number

755749-11-2

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

Boiling Point

308.7°C at 760 mmHg

Density

1.361

Flash Point

140.5°C

Refractive Index

1.501

SMILES

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

InChI

InChI=1S/C10H10F3NO2/c11-10(12,13)7-4-2-1-3-6(7)8(14)5-9(15)16/h1-4,8H,5,14H2,(H,15,16)/t8-/m0/s1

InChIKey

MXKROQQTKYAUJB-QMMMGPOBSA-N

LogP

2.1799000000000004

Topological Polar Surface Area

63.31999999999999 Å²

Hydrogen Bond Donor/Acceptor

3 / 3

Complexity

255

Synonyms & References

English

(3S)-3-amino-3-[2-(trifluoromethyl)phenyl]propanoic acid
AKOS016842760
(S)-3-AMINO-3-(2-TRIFLUOROMETHYL-PHENYL)-PROPIONIC ACID
CS-0315609
(S)-3-amino-3-(2-trifluoromethyl-phenyl)-propionic acid, AldrichCPR
MFCD04113683
DTXSID80366176
A838453
(S)-3-Amino-3-(2-(trifluoromethyl)phenyl)propanoicacid
EN300-7370262
MXKROQQTKYAUJB-QMMMGPOBSA-N
(s)-3-amino-3-(2-trifluoromethylphenyl)propanoic acid
(S)-2-Trifluoromethyl-b-phenylalanine
(S)-3-Amino-3-(2-trifluoromethylphenyl)propionic acid
(S)-3-Amino-3-(2-(trifluoromethyl)phenyl)propanoic acid
755749-11-2
(S)-3-Amino-3-(2-trifluoromethylphenyl)-propionic acid
(S)-3-AMINO-3-(2-TRIFLUOROMETHYLPHENYL)PROPIONIC ACID,
H-b-phe(2-CF3)-OH
(S)-3-AMino-3-(2-trifluoroMethyl-phenyl)-propionic acid

MDL Number

MFCD04113683

Customs Code

2922499990

FAQ

What are the physical and chemical properties of (3S)-3-Amino-3-[2-(trifluoromethyl)phenyl]propanoic acid (CAS: 755749-11-2)?

(3S)-3-Amino-3-[2-(trifluoromethyl)phenyl]propanoic acid has a crystalline form and a molecular weight of approximately 300.09 g/mol. It is slightly soluble in water but soluble in organic solvents. The compound exhibits moderate reactivity, particularly towards nucleophiles. It has a pKa of 2.3 in water, indicating acidic behavior.

How is (3S)-3-Amino-3-[2-(trifluoromethyl)phenyl]propanoic acid (CAS: 755749-11-2) typically synthesized?

(3S)-3-Amino-3-[2-(trifluoromethyl)phenyl]propanoic acid is typically synthesized via amidation of 3-(2-(trifluoromethyl)phenyl)propionyl chloride with ammonia in the presence of a base like triethylamine. The reaction is carried out at room temperature and yields up to 90% product purity.

What industries use (3S)-3-Amino-3-[2-(trifluoromethyl)phenyl]propanoic acid (CAS: 755749-11-2)?

(3S)-3-Amino-3-[2-(trifluoromethyl)phenyl]propanoic acid is used in the pharmaceutical industry for the production of certain drug candidates. It may also have applications in the polymer industry for functionalizing polymers and in the sensor industry for developing chemical sensors.

What precautions should be taken when handling (3S)-3-Amino-3-[2-(trifluoromethyl)phenyl]propanoic acid (CAS: 755749-11-2)?

When handling (3S)-3-Amino-3-[2-(trifluoromethyl)phenyl]propanoic acid, wear appropriate personal protective equipment (PPE) such as gloves, goggles, and protective clothing. Store the compound in a fume hood and in a cool, dry place away from direct sunlight. In case of spill, use a spill kit and ensure proper disposal following the Material Safety Data Sheet (MSDS) guidelines.