2-Oxoquazepam

Base Information

• Chemical Name: 2-Oxoquazepam
• CAS No.: 49606-44-2
• Molecular Formula: C17H11 Cl F4 N2 O
• Molecular Weight: 370.734
• Hs Code.: 2933997500
• European Community (EC) Number: 256-396-2
• UNII: 8T62S796K7
• DSSTox Substance ID: DTXSID30197932
• Nikkaji Number: J247.930C
• Wikipedia: 2-Oxoquazepam
• Wikidata: Q25100400
• Mol file: 49606-44-2.mol

Synonyms:2-oxoquazepam;2oxoquaz;7-chloro-1-(2,2,2-trifluoroethyl)-1,3-dihydro-5-(2-fluorophenyl)-2H-1,4-benzodiazepin-2-one;Sch 15-725;Sch 15725;Sch-15-725

Chemical Property of 2-Oxoquazepam

Chemical Property:

• Appearance/Colour: white powder
• Vapor Pressure: 1.06E-09mmHg at 25°C
• Melting Point: 131-135ºC
• Boiling Point: 488.8 °C at 760 mmHg
• Flash Point: 249.4 °C
• PSA: 32.67000
• Density: 1.42 g/cm³
• LogP: 3.72600
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 370.0496033
• Heavy Atom Count: 25
• Complexity: 539

Purity/Quality:

98%Min ^*data from raw suppliers

7-Chloro-5-(2-fluorophenyl)-1,3-Dihydro-1-(2,2,2-trifluoroethyl)-2H-1,4-benzodiazepin-2-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3F)CC(F)(F)F

Technology Process of 2-Oxoquazepam

There total 3 articles about 2-Oxoquazepam 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: 100.0%

quazepam (36735-22-5) → [3H]-2-Oxoquazepam (49606-44-2)

Guidance literature:

With Hg(CH₃COO)2; at 20 ℃; for 0.25h; pH 11.2 (Britton-Robinson buffer); 40percent DMF as solubilisator;

DOI:10.1002/ardp.19883210806

Reference yield:

2-[2-bromo-N-(2,2,2-trifluoroethyl)-acetamido]-5-chloro-2'-fluorobenzophenone → [3H]-2-Oxoquazepam (49606-44-2)

Guidance literature:

With ammonium bromide; hexamethylenetetramine;

Reference yield:

→ [3H]-2-Oxoquazepam (49606-44-2)

Guidance literature:

aus 2-<2-Brom-N-(2,2,2trifluoraethyl)-acetamido>-5-chlor-2'-fluorbenzophenon + Hexamethylentetramin + NH4Br in IPA/W;

upstream raw materials:

quazepam

Downstream raw materials:

5-chloro-2'-fluoro-2-(N-(2,2,2-trifluoroethyl)amino)benzophenon

Refernces

• 1、 -. "Process for the preparation of 1,4-benzo-diazepines and 1,4-benzodiazepinones". . . Retrieved 2008/06/13.