60091-87-4

Basic information

• Product Name: 2-[(4-CHLORO-2-NITROPHENYL)AMINO]-BENZOIC ACID
• Synonyms: 2-[(4-CHLORO-2-NITROPHENYL)AMINO]-BENZOIC ACID;2-(4-CHLORO-2-NITRIPHENYL)AMINOBENZOIC ACID;2-[(4-CHLORO-2-NITROPHENYL)AMINO]-BENZOIC ACID(WXG02137);Clozapine Impurity 7
• CAS NO: 60091-87-4
• Molecular Formula: C₁₃H₉ClN₂O₄
• Molecular Weight: 292.67
• Mol File: 60091-87-4.mol
• Article Data: 10

Chemical Properties

• Melting Point: 246-247 °C(Solv: ethanol (64-17-5))
• Boiling Point: 445.9 °C at 760 mmHg
• Flash Point: 223.5 °C
• Appearance: /
• Density: 1.525 g/cm³
• Vapor Pressure: 9.86E-09mmHg at 25°C
• Refractive Index: 1.698
• Storage Temp.: Refrigerator
• Solubility: DMSO (Slightly), Methanol (Slightly, Heated)
• PKA: 3.59±0.36(Predicted)
• CAS DataBase Reference: 2-[(4-CHLORO-2-NITROPHENYL)AMINO]-BENZOIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 2-[(4-CHLORO-2-NITROPHENYL)AMINO]-BENZOIC ACID(60091-87-4)
• EPA Substance Registry System: 2-[(4-CHLORO-2-NITROPHENYL)AMINO]-BENZOIC ACID(60091-87-4)

Safety Data

• Hazardous Substances Data: 60091-87-4(Hazardous Substances Data)

Usage

Description

2-[(4-Chloro-2-nitrophenyl)amino]-benzoic acid is a diazepinomicin derivative characterized by its unique chemical structure, featuring a chloronitrophenyl group attached to an aminobenzoic acid backbone. 2-[(4-CHLORO-2-NITROPHENYL)AMINO]-BENZOIC ACID possesses potential anticancer properties and is also identified as an impurity in the synthesis of certain pharmaceuticals.

Uses

Used in Pharmaceutical Industry:
2-[(4-Chloro-2-nitrophenyl)amino]-benzoic acid is used as an impurity in the synthesis of Clozapine (C587500), an antipsychotic medication. Its presence during the synthesis process is crucial for the development of this medication, which is utilized for the treatment of schizophrenia and other related conditions.
Used in Oncology Research:
2-[(4-Chloro-2-nitrophenyl)amino]-benzoic acid is employed as a potential anticancer agent in the field of oncology. Its diazepinomicin derivative nature suggests that it may have the capacity to target and inhibit the growth of cancer cells, making it a subject of interest for further research and development in cancer treatment.

InChI:InChI=1/C13H9ClN2O4/c14-8-5-6-11(12(7-8)16(19)20)15-10-4-2-1-3-9(10)13(17)18/h1-7,15H,(H,17,18)

Upstream product

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• 108-88-3 toluene 
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• 118-91-2 ortho-chlorobenzoic acid 

Downstream Products

• 67990-66-3 N-(2-Amino-4-chlorophenyl)anthranilic acid 
• 6104-71-8 N-desmethylclozapine 
• 50892-62-1 8-chloro-5,10-dihydro-11H-dibenzo[b,e][1,4]diazepin-11-one 
• 98374-72-2 8-Chlor-5,10-dihydro-5-<<4-(3,4,5-trimethoxybenzoy)-1-piperazinyl>acetyl>-11H-dibenzo<1,4>diazepin-11-on-hydrochlorid 

Relevant articles and documents

Identification of 2-fluoro-8-methyl-11-(1-methyl-1,2,3,6-tetrahydropyridin-4-yl)-5H-dibenzo[b,e][1,4]diazepine with clozapine-like mixed activities at muscarinic acetylcholine, dopamine, and serotonin receptors

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NOVEL and IMPROVED SYNTHESIS OF ANTIPSYCHOTIC DRUG

The present invention relates to novel as well as improved process for the preparation of Clozapine of Formula I which involves anti-narcotic and highly cost effective raw materials.

DIBENZO[b,e][1,4]DIAZEPINE MODULATORS OF DOPAMINE RECEPTORS, SEROTONIN RECEPTORS, ADRENERGIC RECEPTORS, ACETYLCHOLINE RECEPTORS, AND/OR HISTAMINE RECEPTORS

The present invention relates to new dibenzo[b,e][1,4]diazepine modulators of dopamine receptors, serotonin receptors, adrenergic receptors, acetylcholine receptors, and/or histamine receptors, pharmaceutical compositions thereof, and methods of use thereof.