Nimetazepam

Base Information

• Chemical Name: Nimetazepam
• CAS No.: 2011-67-8
• Molecular Formula: C16H13N3O3
• Molecular Weight: 295.298
• Hs Code.: 29299000
• European Community (EC) Number: 217-931-5
• UNII: 4532264KW6
• DSSTox Substance ID: DTXSID6023369
• Nikkaji Number: J4.431H
• Wikipedia: Nimetazepam
• Wikidata: Q6149812
• NCI Thesaurus Code: C76536
• Metabolomics Workbench ID: 143613
• ChEMBL ID: CHEMBL13341
• Mol file: 2011-67-8.mol

Synonyms:1-methyl-7-nitro-5-phenyl-1,3-dihydro-2H-1,4- benzodiazepin-2-one;Hypnon;nimetazepam;S-1530

 This product is a nationally controlled contraband, and the Lookchem platform doesn't provide relevant sales information.

Chemical Property of Nimetazepam

Chemical Property:

• Vapor Pressure: 9.53E-12mmHg at 25°C
• Melting Point: -44 °C
• Refractive Index: 1.66
• Boiling Point: 540.467 °C at 760 mmHg
• PKA: pKa 2.53(EtOH/H2O,t =25,Iundefined) (Uncertain)
• Flash Point: 280.665 °C
• PSA: 78.49000
• Density: 1.331 g/cm³
• LogP: 2.43240
• Storage Temp.: ?20°C
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 295.09569129
• Heavy Atom Count: 22
• Complexity: 480

Purity/Quality:

Safty Information:

• Pictogram(s): F,T
• Hazard Codes: F,T
• Statements: 11-23/24/25-39/23/24/25
• Safety Statements: 16-36/37-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C(=O)CN=C(C2=C1C=CC(=C2)[N+](=O)[O-])C3=CC=CC=C3
• Uses: Sedative, hypnotic. Controlled substance.
• Therapeutic Function: Tranquilizer

Technology Process of Nimetazepam

There total 5 articles about Nimetazepam which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

[2-(methylamino)-5-nitrobenzo]phenone (4958-56-9) → nimetazepam (2011-67-8)

Guidance literature:

With pyridine;

Reference yield:

dimethyl sulfate (77-78-1) + nitrazepam (146-22-5) → nimetazepam (2011-67-8)

Guidance literature:

nitrazepam; With sodium methylate; In N,N-dimethyl-formamide; at 20 ℃; for 1h;

dimethyl sulfate; In N,N-dimethyl-formamide; at 20 ℃; for 20h;

DOI:10.1016/j.bmcl.2008.07.119

Reference yield:

4-nitrobenzyl chloride (100-14-1) → nimetazepam (2011-67-8)

Guidance literature:

With sodium hydride; In N,N-dimethyl-formamide;

DOI:10.1071/CH9851037

upstream raw materials:

1-methyl-2-aminomethyl-3-phenyl-5-nitroindole

4-nitrobenzyl chloride

[2-(methylamino)-5-nitrobenzo]phenone

dimethyl sulfate

Downstream raw materials:

{[1-(2-Methylamino-5-nitro-phenyl)-1-phenyl-meth-(Z)-ylidene]-amino}-acetic acid

glycine

[2-(methylamino)-5-nitrobenzo]phenone

7-amino-1-methyl-5-phenyl-1H-benzo[e][1,4]diazepin-2(3H)-one

Refernces

• 1、 Guandalini,Cellai,Laurenzana,Scapecchi,Paoletti,Romanelli. "Design, synthesis and preliminary biological evaluation of new hydroxamate histone deacetylase inhibitors as potential antileukemic agents". supporting information; experimental part. p. 5071 - 5074. Retrieved 2009/05/30.
• 2、 Krichevskii, E. S.,Romanova, O. B.,Grinev, A. N.. "A NEW APPROACH TO THE SYNTHESIS OF 2-AMINOMETHYL-3-PHENYL-5-NITROINDOLE". . p. 1302 - 1305. Retrieved 2007/10/02.