4959-17-5

Basic information

• Product Name: 7-AMINOCLONAZEPAM
• Synonyms: 7-AMINOCLONAZEPAM;7-Amino-5-(2-chlorophenyl)-1,3-dihydro-2H-1,4-Benzodiazepin-2-one;7-Amino-5-(o-chlorophenyl)-1,3-dihydro-2H-1,4-benzodiazepin-2-one;Aminoclonazepam;Chloraminazepam;Ro 5-461;2H-1,4-Benzodiazepin-2-one, 7-amino-5-(2-chlorophenyl)-1,3-dihydro-;7-AMINOCLONAZEPAM,1.0MG/MLINACETONITRILE
• CAS NO: 4959-17-5
• Molecular Formula: C₁₅H₁₂ClN₃O
• Molecular Weight: 285.73
• EINECS: 200-835-2
• Product Categories: Intermediates & Fine Chemicals;Metabolites & Impurities;Pharmaceuticals;Aromatics;Heterocycles
• Mol File: 4959-17-5.mol

Chemical Properties

• Melting Point: 226-228°C
• Boiling Point: 523.5 °C at 760 mmHg
• Flash Point: 2℃
• Appearance: /
• Density: 1.41 g/cm³
• Vapor Pressure: 4.69E-11mmHg at 25°C
• Refractive Index: 1.696
• Storage Temp.: Controlled Substance, -20?C Freezer
• PKA: 12.15±0.70(Predicted)
• CAS DataBase Reference: 7-AMINOCLONAZEPAM(CAS DataBase Reference)
• NIST Chemistry Reference: 7-AMINOCLONAZEPAM(4959-17-5)
• EPA Substance Registry System: 7-AMINOCLONAZEPAM(4959-17-5)

Safety Data

• Hazard Codes: F,Xn
• Statements: 11-20/21/22-36
• Safety Statements: 16-36/37-26
• RIDADR: UN 1648 3 / PGII
• WGK Germany: 2
• Hazardous Substances Data: 4959-17-5(Hazardous Substances Data)

Usage

Chemical Properties

Yellow Solid

Uses

The major metabolite of Clonazepam (C587080).

InChI:InChI=1/C15H12ClN3O/c16-12-4-2-1-3-10(12)15-11-7-9(17)5-6-13(11)19-14(20)8-18-15/h1-7H,8,17H2,(H,19,20)

Upstream product

• 364046-84-4 5-(2-chlorophenyl)-1,3-dihydro-7-nitro-2H-1,4-benzodiazepin-2-one 
• 3900-89-8 2-Chlorobenzeneboronic acid 
• 17420-30-3 5-nitroanthranilonitrile 
• 52130-87-7 2-bromo-2'-(2-chlorobenzoyl)-4'-nitroacetanilide 
• 2011-66-7 2'-chloro-5-nitro-2-aminobenzophenone 
• 10073-89-9 2-methyl-6-nitro-4H-benzo[d][1,3]oxazin-4-one 
• 616-79-5 2-amino-5-nitro-benzoic acid 

Relevant articles and documents

Novel method for preparing 7-amino clonazepam compound

The invention discloses a novel method for preparing a 7-amino clonazepam compound, and belongs to the technical field of organic synthesis. The preparation method comprises the steps that 2-amino-4-nitrobenzoic acid serves as an initial raw material, and a target compound is obtained through the processes of acetyl-lactonization, Grignard reaction, amide hydrolysis, intramolecular condensation reaction, reduction and the like. The method provided by the invention is safe to operate, avoids the use of heavy metals, is simple and convenient in post-treatment, can obtain the product through direct filtration and recrystallization, and does not need other purification. Only conventional acid, alkali and solvents are used in the whole reaction process, so that the method is less in environmental pollution, low in cost and higher in yield.

Method for synthesizing 7-amino clonazepam compound

The invention discloses a method for synthesizing a 7-amino clonazepam compound, and belongs to the technical field of organic synthesis. The preparation method comprises the steps that 2-cyano-4-nitroaniline serves as an initial raw material, and a target compound is obtained through oxidative coupling, amidation, affinity substitution reaction, intramolecular Wittig reaction, reduction reaction and other processes. According to the invention, a brand new synthetic route is provided for 7-amino nitrazepam, the method has the advantages of short synthetic steps, safe operation and simple post-treatment, only conventional acid-base and solvent are used in the whole reaction process, the cost is low, and the yield is increased by more than 20%.

Substrate selectivity of human aldehyde oxidase 1 in reduction of nitroaromatic drugs

Human aldehyde oxidase 1 (AOX1) catalyzes the oxidation of various drugs and endogenous compounds. Recently, we found that AOX1 catalyzed the reduction of drugs such as nitrazepam and dantrolene. In this study, we aimed to clarify the substrate selectivit

Synthesis and pharmacological evaluation of peptide-mimetic protease-activated receptor-1 antagonists containing novel heterocyclic scaffolds

Protease-activated receptor-1 (PAR-1) is a G-coupled receptor activated by α-thrombin and other proteases. In this paper we describe the synthesis and the pharmacological evaluation of novel peptide-mimetic antagonists (compounds 1-16) characterized by th

Studies on the detection of clonazepam and its main metabolites considering in particular thin-layer chromatography discrimination of nitrazepam and its major metabolic products (author's transl)

The article describes analytical methods concerning screening tests for clonazepam and nitrazepam and the 7-amino derivatives. Further a detailed method is reported for the separation and identificatin of the benzodiazepine pair de. The method described permits a sharp separation and the nitro compounds with TiCl3 on the plate and forming the 7-acetamido derivatives by subsequent separation in the second dimension with ethyl acetate/acetic anhydride. The method described permits a sharp separation and highly sensitive detection by diazotization and coupling with Bratton-Marshall reagent. Amounts as low as 0.02 microng per spot can be detected. Besides preparation methods are reported for 7-aminoclonazepam, 7-acetaminoclonazepam, 2-amino-2'-chloro-5-nitrobenzophenone and 2,5-diamino-2'-chlorobenzophenone. Also spectral data (UV, IR, MS) and a literature review are given.