Clonazolam

Base Information

• Chemical Name: Clonazolam
• CAS No.: 33887-02-4
• Molecular Formula: C17H12ClN5O2
• Molecular Weight: 353.76
• UNII: HJH52YYC1X
• DSSTox Substance ID: DTXSID301014166
• Metabolomics Workbench ID: 155054
• Nikkaji Number: J3.465.796C
• Wikidata: Q19607410
• Wikipedia: Clonazolam
• Mol file: 33887-02-4.mol

Synonyms:4H-(1,2,4)Triazolo(4,3-a)(1,4)benzodiazepine, 6-(2-chlorophenyl)-1-methyl-8-nitro-;6-(2-Chlorophenyl)-1-methyl-8-nitro-4H-(1,2,4)triazolo(4,3-a)(1,4)benzodiazepine;clonazolam

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

Chemical Property of Clonazolam

Chemical Property:

• Boiling Point: 576.0±60.0 °C(Predicted)
• PKA: 1.88±0.40(Predicted)
• PSA: 88.89000
• Density: 1.53±0.1 g/cm3(Predicted)
• LogP: 3.44710
• Storage Temp.: -20°C
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 353.0679523
• Heavy Atom Count: 25
• Complexity: 554

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NN=C2N1C3=C(C=C(C=C3)[N+](=O)[O-])C(=NC2)C4=CC=CC=C4Cl
• Description: Clonazolam is a benzodiazepine that was developed as a central nervous system depressant in the 1970s and has recently emerged as a drug of abuse. It potently antagonizes convulsions induced by thiosemicarbazide and pentobarbital (ED50s = 90 μg/kg for both agonists in mice). In vitro phase I metabolites of clonazolam, derived from human liver microsomes, have been described. This product is intended for forensic and research applications. Clonazolam (CRM) (Item No. 25614) is a certified reference material categorized as a benzodiazepine. It is also categorized as a sedative and has been abused recreationally. This product is intended for research and forensic applications.

Technology Process of Clonazolam

There total 2 articles about Clonazolam 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:

phthalimide (136918-14-4,85-41-6) + 2'-chloro-5-nitro-2-[3-(hydroxymethyl)-5-methyl-4H-1,2,4-triazol-4-yl] benzophenone + 5-nitro-2'-chloro-2-[3-(phthalimidomethyl)-5-methyl-4H-1,2,4-triazol-4-yl]benzophenone + N-<<4-(2-Benzoyl-4-chlorophenyl)-5-methyl-4H-1,2,4-triazol-3-yl>-methyl>phthalimide (54196-63-3) + diethylazodicarboxylate (1972-28-7,218603-74-8) → 6-(2-chloro-phenyl)-1-methyl-8-nitro-4H-benzo[f][1,2,4]triazolo[4,3-a][1,4]diazepine (33887-02-4)

Guidance literature:

With hydrazine hydrate; triphenylphosphine; In tetrahydrofuran; ethanol;

Reference yield:

→ 6-(2-chloro-phenyl)-1-methyl-8-nitro-4H-benzo[f][1,2,4]triazolo[4,3-a][1,4]diazepine (33887-02-4)

Guidance literature:

Acethydrazid,1,3-Dihydro-5-(o-chlorphenyl)-7-nitro-2H-1,4-benzodiazepin-2-thion(25);

DOI:10.1021/jm00293a015

Reference yield:

6-(2-chloro-phenyl)-1-methyl-8-nitro-4H-benzo[f][1,2,4]triazolo[4,3-a][1,4]diazepine (33887-02-4) → 8Nitro-1-(2-hydroxyethyl)-6-(o-chlorophenyl)-4H-s-triazolo[4,3-a][1,4]benzodiazepine

Guidance literature:

In 5,5-dimethyl-1,3-cyclohexadiene;

upstream raw materials:

phthalimide

N-<<4-(2-Benzoyl-4-chlorophenyl)-5-methyl-4H-1,2,4-triazol-3-yl>-methyl>phthalimide

diethylazodicarboxylate