Cloxazolam

Base Information

• Chemical Name: Cloxazolam
• CAS No.: 24166-13-0
• Deprecated CAS: 158178-34-8
• Molecular Formula: C17H14 Cl2 N2 O2
• Molecular Weight: 349.216
• European Community (EC) Number: 815-874-6
• UNII: GYL649Z0HY
• DSSTox Substance ID: DTXSID0022854
• Nikkaji Number: J3.158E
• Wikipedia: Cloxazolam
• Wikidata: Q4385221
• NCI Thesaurus Code: C79883
• Metabolomics Workbench ID: 143590
• ChEMBL ID: CHEMBL2107254
• Mol file: 24166-13-0.mol

Synonyms:10-chloro-11b-(2-chlorophenyl)-2,3,5,6,7,11b-hexahydrobenzo(6,7)-1,4-diazepino(5,4-b)oxazol-6-one;10-chloro-11b-(2-chlorophenyl)-2,3,7,11b(5H)-tetrahydro-oxazolo(3,2-d)(1,4)benzodiazepine-6-one;cloxazolam;CS 370;former CAS registry number of cloxazolam;MT 14-411;Olcadil

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Chemical Property of Cloxazolam

Chemical Property:

• Vapor Pressure: 5.47E-11mmHg at 25°C
• Melting Point: 202-204° (dec)
• Refractive Index: 1.6100 (estimate)
• Boiling Point: 521.8 °C at 760 mmHg
• PKA: 12.70±0.40(Predicted)
• Flash Point: 269.4 °C
• PSA: 41.57000
• Density: 1.49 g/cm³
• LogP: 3.55470
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 348.0432331
• Heavy Atom Count: 23
• Complexity: 478

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1COC2(N1CC(=O)NC3=C2C=C(C=C3)Cl)C4=CC=CC=C4Cl
• Uses: CLOXAZOLAM is a benzodiazepine derivative with anxiolytic, hypnotic and antihypertensive properties used as an anti-anxiety drug. It is metabolized into the active metabolite Delorezepam (D230675). Controlled Subs tance.
• Therapeutic Function: Tranquilizer

Technology Process of Cloxazolam

There total 5 articles about Cloxazolam 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:

oxirane (75-21-8,99932-75-9) + delorazepam (2894-67-9) → cloxazolam (24166-13-0,158251-57-1)

Guidance literature:

aluminium trichloride; In benzene;

Reference yield:

N-(2-hydroxy-ethyl)-glycine 4-chloro-2-(2-chloro-benzoyl)-anilide (24234-92-2) → cloxazolam (24166-13-0,158251-57-1)

Guidance literature:

With acetic acid; In ethanol; Heating;

DOI:10.1021/jm00288a015

Reference yield:

2-(2-bromo-acetylamino)-5,2'-dichloro-benzophenone (5504-92-7) → cloxazolam (24166-13-0,158251-57-1)

Guidance literature:

Multi-step reaction with 2 steps

2: AcOH / ethanol / Heating

With acetic acid; In ethanol;

DOI:10.1021/jm00288a015

upstream raw materials:

N-(2-hydroxy-ethyl)-glycine 4-chloro-2-(2-chloro-benzoyl)-anilide

2-(2-bromo-acetylamino)-5,2'-dichloro-benzophenone

oxirane

delorazepam

Downstream raw materials:

10-chloro-11b-(2-chlorophenyl)-7-methoxymethyl-2,3,5,11b-tetrahydrooxazolo[3,2-d] [1,4]benzodiazepin-6(7H)-one

N-(2-hydroxy-ethyl)-glycine 4-chloro-2-(2-chloro-benzoyl)-anilide

10-chloro-11b-(2-chloro-phenyl)-7-ethyl-2,3,7,11b-tetrahydro-benzo[f]oxazolo[3,2-d][1,4]diazepin-6-one

10-chloro-11b-(2-chloro-phenyl)-7-methyl-2,3,7,11b-tetrahydro-benzo[f]oxazolo[3,2-d][1,4]diazepin-6-one

Refernces

• 1、 Ikeda,Nagai. "The acid-base equilibrium reaction of benzodiazepinooxazoles". . p. 3810 - 3816. Retrieved 2007/10/02.
• 2、 Miyadera,Terada,Fukunaga,Kawano,Kamioka,Tamura,Takagi,Tachikawa. "Anxiolytic sedatives. 1. Synthesis and pharmacology of benzo[6,7]-1,4-diazepino[5,4-b]oxazole derivatives and analogs.". . p. 520 - 526. Retrieved 2007/10/08.