(3S)-3-Amino-3-(4-cyanophenyl)propanoic acid

Basic Information

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CAS Number

718596-77-1

Molecular Formula

C10H10N2O2

Molecular Weight

190.2 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

Basic Chemical Raw Materials Organic Chemicals Nitriles

Fine Chemicals Dyes and Pigments Organic Dyes

Basic Physical Properties

SMILES

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

InChI

InChI=1S/C10H10N2O2/c11-6-7-1-3-8(4-2-7)9(12)5-10(13)14/h1-4,9H,5,12H2,(H,13,14)/t9-/m0/s1

InChIKey

JFPLLJRLBHIJPS-VIFPVBQESA-N

LogP

1.73308

Complexity

248

Safety Information

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Sensitiveness

Air Sensitive

Synonyms & References

English

718596-77-1
DTXSID80363443
3-(S)-Amino-3-(4-cyano-phenyl)-propionic acid
(S)-3-Amino-3-(4-cyano-phenyl)-propionic acid
(S)-3-Amino-(4-cyanophenyl)propionic acid
JFPLLJRLBHIJPS-VIFPVBQESA-N
(S)-3-Amino-3-(4-cyanophenyl)propanoicacid
AKOS016842515
CS-0157633
A866353
(S)-3-AMINO-(4-CYANO-PHENYL)-PROPIONIC ACID
MFCD04117832
(S)-3-Amino-3-(4-cyanophenyl)propionic acid
SCHEMBL13991118
(S)-3-Amino-3-(4-cyanophenyl)propanoic acid
(3S)-3-amino-3-(4-cyanophenyl)propanoic acid
DS-17069
(S)-3-AMINO-3-(4-CYANO-PHENYL)-PROPIONIC ACID
(S)-3-Amino-3-(4-cyanophenyl)-propionic acid
Benzenepropanoic acid, b-amino-4-cyano-, (bS)-
H-L-b-phe(4-CN)-OH

MDL Number

MFCD04117832

FAQ

What are the physical and chemical properties of (3S)-3-Amino-3-(4-cyanophenyl)propanoic acid (CAS: 718599-77-1)?

(3S)-3-Amino-3-(4-cyanophenyl)propanoic acid is a white crystalline solid with a molecular weight of approximately 222.13 g/mol. It is slightly soluble in water and highly soluble in organic solvents. Chemically, it is an amine derivative with reactive amine and carboxylic acid functionalities, making it suitable for various synthetic reactions.

How is (3S)-3-Amino-3-(4-cyanophenyl)propanoic acid (CAS: 718599-77-1) typically synthesized?

(3S)-3-Amino-3-(4-cyanophenyl)propanoic acid is often synthesized through the reaction of 4-cyanobenzoyl chloride with (3S)-3-aminopropanoic acid. The reaction proceeds with the formation of an ester intermediate, which is then hydrolyzed to yield the final product. This process typically involves the use of a phase transfer catalyst and optimization of reaction conditions for high yield and selectivity.

What industries use (3S)-3-Amino-3-(4-cyanophenyl)propanoic acid (CAS: 718599-77-1)?

(3S)-3-Amino-3-(4-cyanophenyl)propanoic acid is used in the pharmaceutical industry for the development of novel drug candidates, particularly in the areas of oncology and neurology. It also finds applications in the research of sensors and semiconductors due to its chemical reactivity and functional groups.

What precautions should be taken when handling (3S)-3-Amino-3-(4-cyanophenyl)propanoic acid (CAS: 718599-77-1)?

When handling (3S)-3-Amino-3-(4-cyanophenyl)propanoic acid, it is important to wear appropriate personal protective equipment (PPE), including gloves and a lab coat. The compound should be handled in a well-ventilated area or fume hood to minimize exposure to cyanide gas. Spills should be cleaned up with appropriate chemicals and safety protocols, and the Material Safety Data Sheet (MSDS) should be consulted for detailed safety information.