Rebamipide 3-Chloro Impurity

Basic Information

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CAS Number

90098-05-8

Molecular Formula

C19H15ClN2O4

Molecular Weight

370.79 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

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

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Density

1.394±0.06 g/cm3 (20 ºC 760 Torr),

SMILES

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C1=CC=C2C(=C1)C(=CC(=O)N2)CC(C(=O)O)NC(=O)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C19H15ClN2O4/c20-13-5-3-4-11(8-13)18(24)22-16(19(25)26)9-12-10-17(23)21-15-7-2-1-6-14(12)15/h1-8,10,16H,9H2,(H,21,23)(H,22,24)(H,25,26)

InChIKey

BDWGQNMAAZVUQH-UHFFFAOYSA-N

LogP

2.6072000000000006

Topological Polar Surface Area

99.25999999999999 Å²

Hydrogen Bond Donor/Acceptor

3 / 6

Complexity

606

Synonyms & References

English

Rebamipide 3-Chloro Impurity
α-[(3-Chlorobenzoyl)amino]-1,2-dihydro-2-oxo-4-quinolinepropanoic acid
α-[(3-Chlorobenzoyl)amino]-1,2-dihydro-2-oxo-4-quinolinepropanoic acid (ACI)
2-(3-chlorobenzamido)-3-(2-oxo-1,2-dihydroquinolin-4-yl)propanoic acid
2-(3-Chlorobenzamido)-3-(2-oxo-1,2-dihydroquinolin-4-yl)propanoic acid
Rebamipide 3-Chloro Impurity (>80%)
2-(3-chlorobenzamido)-3-(2-hydroxyquinolin-4-yl)propanoic acid
2-[(3-chlorobenzoyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoic acid
alpha-[(3-Chlorobenzoyl)amino]-1,2-dihydro-2-oxo-4-quinolinepropanoic acid
AKOS037650762
C13243
-[(3-Chlorobenzoyl)amino]-1,2-dihydro-2-oxo-4-quinolinepropanoic acid
2-[(3-chlorophenyl)formamido]-3-(2-oxo-1H-quinolin-4-yl)propanoic acid
90098-05-8
4-?Quinolinepropanoic acid, a-?[(3-?chlorobenzoyl)?amino]?-?1,?2-?dihydro-?2-?oxo-; a-[(3-Chlorobenzoyl)amino]-1,2-dihydro-2-oxo-4-quinolinepropanoic acid; 2-[(3-chlorobenzoyl)amino]-3-(2-oxo-1H-quinolin-4-yl)propanoic acid
Rebamipide3-ChloroImpurity
SCHEMBL9292906
CS-B1648
CS-15279

MDL Number

MFCD30748222

FAQ

What are the physical and chemical properties of Rebamipide 3-Chloro Impurity (CAS: 90098-05-8)?

Rebamipide 3-Chloro Impurity is a crystalline compound with a molecular weight of approximately 253.01 g/mol. It has limited solubility in water and is more soluble in organic solvents like ethanol and acetone. This impurity is reactive and can undergo hydrolysis under basic conditions. It is important to handle this compound with care due to its potential reactivity.

How is Rebamipide 3-Chloro Impurity (CAS: 90098-05-8) typically synthesized?

Rebamipide 3-Chloro Impurity is synthesized through a multi-step process involving nucleophilic substitution reactions. Commonly, a starting material undergoes a halogenation step, followed by a condensation reaction with a secondary amine, leading to the formation of the 3-chloro impurity. The synthesis typically uses basic catalysts and requires careful control of reagent ratios to achieve high yields and selectivity.

What industries use Rebamipide 3-Chloro Impurity (CAS: 90098-05-8)?

Rebamipide 3-Chloro Impurity is primarily used in the pharmaceutical industry as a byproduct or intermediate in the synthesis of rebamipide. It is also relevant in the chemical research sector for its reactivity and as a reference compound in analytical chemistry.

What precautions should be taken when handling Rebamipide 3-Chloro Impurity (CAS: 90098-05-8)?

When handling Rebamipide 3-Chloro Impurity (CAS: 90098-05-8), it is important to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a fume hood to minimize exposure to the compound. Spills should be cleaned up using appropriate absorbents, and the area should be well-ventilated. Always refer to the Safety Data Sheet (SDS) for specific handling and disposal instructions.