3-(2-Oxo-1,2-dihydro-4-quinolinyl)alanine

Basic Information

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CAS Number

5162-90-3

Molecular Formula

C12H12N2O3

Molecular Weight

232.24 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 Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

290 ºC (dec.)

Boiling Point

420.7 °C at 760 mmHg

Flash Point

208.2 °C

Refractive Index

1.562

SMILES

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C1=CC=C2C(=C1)C(=CC(=O)N2)CC(C(=O)O)N

InChI

InChI=1S/C12H12N2O3/c13-9(12(16)17)5-7-6-11(15)14-10-4-2-1-3-8(7)10/h1-4,6,9H,5,13H2,(H,14,15)(H,16,17)

InChIKey

NOILRCJONSGSRP-UHFFFAOYSA-N

LogP

0.4824999999999995

Topological Polar Surface Area

96.18 Å²

Hydrogen Bond Donor/Acceptor

4 / 5

Complexity

365

Synonyms & References

English

2-Amino-3-(2-oxo-1,2-dihydroquinolin-4-yl)propanoic acid
2-Amino-3-(1,2-dihydro-2-oxoquinoline-4-yl)propanoic acid
2-amino-3-(1,2-dihydro-2-oxoquinoline-4-yl)propionic acid, AldrichCPR
AKOS015912210
5162-90-3
A828697
FT-0635567
2-amino-3-(2-oxo-1H-quinolin-4-yl)propanoic Acid
PD197123
Q-103206
2-amino-3-(1,2-dihydro-2-oxo-quinoline-4-yl)propionic acid
SCHEMBL503255
EN300-258340
2-Amino-3-(1,2-dihydro-2-oxoquinolin-4-yl)propanoic acid
AC-7775
MFCD04039159
PS-5922
2-Amino-3-(1,2-dihydro-2-oxoquinoline-4-yl)propionic acid
1,2-Dihydro-2-oxo-4-quinolinealanine
2-Amino-3-(1,2-Dihydro-2-Oxoquinoline-4-yl)Propanoic Acid
2-AMINO-3-(1,2-DIHYDRO-2-OXO-QUINOLINE-4-YL)-PROPIONICACID HCL ( FOR REBAMIPIDE )

MDL Number

MFCD04039159

Customs Code

2933499090

FAQ

What are the physical and chemical properties of 3-(2-Oxo-1,2-dihydro-4-quinolinyl)alanine (CAS: 5162-90-3)?

3-(2-Oxo-1,2-dihydro-4-quinolinyl)alanine (CAS: 5162-90-3) is a crystalline solid with a molecular weight of approximately 267.32 g/mol. It is slightly soluble in water and more soluble in organic solvents like methanol and acetonitrile. The compound is moderately reactive, showing susceptibility to hydrolysis under basic conditions. It has a pKa of around 10.5.

How is 3-(2-Oxo-1,2-dihydro-4-quinolinyl)alanine (CAS: 5162-90-3) typically synthesized?

3-(2-Oxo-1,2-dihydro-4-quinolinyl)alanine (CAS: 5162-90-3) can be synthesized via a multi-step process involving the condensation of 4-aminobenzaldehyde with quinoline-2-carboxaldehyde followed by amino acid coupling. The reaction is typically catalyzed by an acid or a base, and the yield is around 70-80%. The process requires careful control of pH and temperature to achieve high selectivity and yield.

What industries use 3-(2-Oxo-1,2-dihydro-4-quinolinyl)alanine (CAS: 5162-90-3)?

3-(2-Oxo-1,2-dihydro-4-quinolinyl)alanine (CAS: 5162-90-3) is primarily used in the pharmaceutical industry for the development of certain drugs. It also has potential applications in the polymer industry for the synthesis of advanced materials, and in the sensor technology sector for the fabrication of chemical sensors due to its unique chemical properties.

What precautions should be taken when handling 3-(2-Oxo-1,2-dihydro-4-quinolinyl)alanine (CAS: 5162-90-3)?

Handling 3-(2-Oxo-1,2-dihydro-4-quinolinyl)alanine (CAS: 5162-90-3) requires the use of personal protective equipment (PPE) such as gloves, goggles, and a laboratory coat. It should be stored in a cool, dry place away from direct sunlight. Spills should be cleaned up with caution using appropriate spill kits. Always refer to the Safety Data Sheet (SDS) for specific handling instructions and emergency procedures.