52130-87-7

Basic information

• Product Name: 2-bromo-N-[2-(2-chlorobenzoyl)-4-nitrophenyl]acetamide
• Synonyms: 2-bromo-N-[2-(2-chlorobenzoyl)-4-nitrophenyl]acetamide;2-Brom-N-(2-(2-chlorbenzoyl)-4-nitrophenyl)acetamid;Einecs 257-681-4;ClonazepaM USP Related CoMpound C;2-Bromo-N-[2-(2-chlorobenzoyl)-4-nitrophenyl]acetamide (Clonazepam Impurity);Clonazepam Impurity C(USP)
• CAS NO: 52130-87-7
• Molecular Formula: C15H10BrClN2O4
• Molecular Weight: 397.6079
• EINECS: 257-681-4
• Product Categories: Aromatics;Impurities;Intermediates & Fine Chemicals;Pharmaceuticals;MTS & Sulfhydryl Active Reagents
• Mol File: 52130-87-7.mol

Chemical Properties

• Boiling Point: 616.7°C at 760 mmHg
• Flash Point: 326.8°C
• Appearance: /
• Density: 1.673g/cm³
• Vapor Pressure: 3.84E-15mmHg at 25°C
• Refractive Index: 1.677
• Storage Temp.: Inert atmosphere,Room Temperature
• Solubility: DMSO (Slightly), Methanol (Slightly)
• PKA: 10.59±0.70(Predicted)
• CAS DataBase Reference: 2-bromo-N-[2-(2-chlorobenzoyl)-4-nitrophenyl]acetamide(CAS DataBase Reference)
• NIST Chemistry Reference: 2-bromo-N-[2-(2-chlorobenzoyl)-4-nitrophenyl]acetamide(52130-87-7)
• EPA Substance Registry System: 2-bromo-N-[2-(2-chlorobenzoyl)-4-nitrophenyl]acetamide(52130-87-7)

Safety Data

• Hazardous Substances Data: 52130-87-7(Hazardous Substances Data)

Usage

Chemical Properties

Beige Solid

Uses

An impurity from the synthesis of clonazepam (C587080)

InChI:InChI=1/C15H10BrClN2O4/c16-8-14(20)18-13-6-5-9(19(22)23)7-11(13)15(21)10-3-1-2-4-12(10)17/h1-7H,8H2,(H,18,20)

Upstream product

• 17420-30-3 5-nitroanthranilonitrile 
• 3900-89-8 2-Chlorobenzeneboronic acid 
• 10073-89-9 2-methyl-6-nitro-4H-benzo[d][1,3]oxazin-4-one 
• 616-79-5 2-amino-5-nitro-benzoic acid 
• 2011-66-7 2'-chloro-5-nitro-2-aminobenzophenone 
• 598-21-0 2-Bromoacetyl bromide 
• 609-65-4 o-chlorobenzoyl chloride 
• 100-01-6 4-nitro-aniline 

Downstream Products

• 364046-84-4 5-(2-chlorophenyl)-1,3-dihydro-7-nitro-2H-1,4-benzodiazepin-2-one 
• 4959-17-5 7-Aminoclonazepam 

Relevant articles and documents

Method for synthesizing clonazepam compound

The invention discloses a method for synthesizing a clonazepam compound, and belongs to the technical field of organic chemical synthesis, and the preparation method comprises the following steps: by taking 2-amino-4-nitrophenyl potassium trifluoroborate as an initial raw material, carrying out oxidative coupling, amidation, affinity substitution reaction, intramolecular condensation reaction and the like to obtain a target compound; the method disclosed by the invention is short in synthesis step, safe to operate and simple and convenient in post-treatment, and the product can be obtained by directly filtering and leaching without other purification; only conventional acid, alkali and solvents are used in the whole reaction process, the cost is low, and the yield is increased by 30% or above.

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%.

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.

Design, synthesis and evaluation of aminobenzophenone derivatives containing nitrogen mustard moiety as potential central nervous system antitumor agent

A series of novel substituted aminobenzophenone derivatives containing nitrogen mustard moiety (5a-f) were synthesized and characterized on the basis of their IR, 1H NMR, 13C NMR, CHN, and mass spectral data. All the compounds when evaluated for chemical 4-(4-nitrobenzyl) pyridine alkylating activity proved to be active alkylating agents. All the synthesized compounds were subjected to physicochemical parameters determination required for central nervous system (CNS) activity through computational, online software, and QikProp 3.2. The log P values and other in silico ADME physicochemical descriptors analyzed lay between the ranges those are required for good BBB penetration. The in vitro antiproliferative activity against human cancer cell lines viz. A 549 (lung), COLO 205 (colon), U 87 (glioblastoma), and IMR-32 (neuroblastoma) was investigated. Most of the test compounds showed potent antitumor activity, especially compound (5f) which displayed the highest activity against CNS cancer cell line comparable to that of chlorambucil and docetaxel. The preliminary structure-activity relationship (SAR) revealed that 5-chloroaminobenzophenone-mustard series (5a-c) exhibited better antitumor activity than 5-nitroaminobenzophenone-mustard series (5d-f).