Halazepam

Base Information

• Chemical Name: Halazepam
• CAS No.: 23092-17-3
• Molecular Formula: C17H12 Cl F3 N2 O
• Molecular Weight: 352.743
• European Community (EC) Number: 245-425-4
• UNII: 320YC168LF
• DSSTox Substance ID: DTXSID5023118
• Nikkaji Number: J11.463D
• Wikipedia: Halazepam
• Wikidata: Q5641126
• NCI Thesaurus Code: C61780
• Pharos Ligand ID: Z6YKBFZZTK15
• Metabolomics Workbench ID: 43092
• ChEMBL ID: CHEMBL970
• Mol file: 23092-17-3.mol

Synonyms:halazepam;Sch 12041

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Chemical Property of Halazepam

Chemical Property:

• Vapor Pressure: 1.15E-09mmHg at 25°C
• Melting Point: 164-166°
• Boiling Point: 487.8°Cat760mmHg
• PKA: 2.61±0.20(Predicted)
• Flash Point: 248.8°C
• PSA: 32.67000
• Density: 1.37g/cm³
• LogP: 3.58690
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 352.0590252
• Heavy Atom Count: 24
• Complexity: 503

Purity/Quality:

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=C3)CC(F)(F)F
• Uses: A benzodiazepine derivative that possesses anxiolytic, anticonvulsant, sedative and skeletal muscle relaxant properties. It is a precursor to Desmethyldiazepam (D291595) and is equal to or more effective than Diazepam (D416855) with a lower frequency of side effects. Controlled Substance.

Technology Process of Halazepam

There total 2 articles about Halazepam 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:

5-chloro-2-[(2,2,2-trifluoroethyl)amino]benzophenone (22753-80-6) → halazeapam (23092-17-3)

Guidance literature:

In water; dimethyl sulfoxide;

Reference yield:

→ halazeapam (23092-17-3)

Guidance literature:

Benzodiazepin III, 1) Na, CH3OH, 2) 2,2,2-Trifluorethyliodid;

Reference yield: 76.0%

Diphenylphosphine oxide (4559-70-0) + halazeapam (23092-17-3) → 7-chloro-1,3-dihydro-5-(2-(diphenylphosphoryl)phenyl)-1-(2,2,2-trifluoroethyl)-2H-benz o[e][1,4]diazepin-2-one

Guidance literature:

With potassium hexafluorophosphate; [Cp*Rh(OAc)₂]; In methanol; at 65 ℃; Electrochemical reaction;

DOI:10.1002/anie.201909951

upstream raw materials:

5-chloro-2-[(2,2,2-trifluoroethyl)amino]benzophenone

Refernces

• 1、 -. "Process for the preparation of 1,4-benzodiazepine derivatives". . . Retrieved 2008/06/13.