Oxazepam acetate

Base Information

• Chemical Name: Oxazepam acetate
• CAS No.: 1824-74-4
• Molecular Formula: C17H13 Cl N2 O3
• Molecular Weight: 328.755
• Hs Code.: 2933998350
• European Community (EC) Number: 217-359-6
• UNII: 611V4315UA
• DSSTox Substance ID: DTXSID40939582
• Nikkaji Number: J199.643F
• Wikidata: Q27263273
• Metabolomics Workbench ID: 155032
• ChEMBL ID: CHEMBL146245
• Mol file: 1824-74-4.mol

Synonyms:oxazepam 3-acetate;oxazepam acetate;oxazepam acetate, (+,-)-isomer;oxazepam acetate, (R)-(-)-isomer;oxazepam acetate, (S)-(+)-isomer;oxazepam acetate, 2-one-2-(14)C-labeled cpd;oxazepam-3-acetate;rac-OXA

Chemical Property of Oxazepam acetate

Chemical Property:

• Vapor Pressure: 4.79E-10mmHg at 25°C
• Boiling Point: 497.8°Cat760mmHg
• Flash Point: 254.9°C
• PSA: 71.25000
• Density: 1.37g/cm³
• LogP: 2.53940
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 328.0614700
• Heavy Atom Count: 23
• Complexity: 502

Purity/Quality:

99.9% ^*data from raw suppliers

3-ACETOXY-7-CHLORO-1,3-DIHYDRO-5-PHENYL-2H-1,4-BENZODIAZEPIN-2-ONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OC1C(=O)NC2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3
• Uses: A benzodiazepine derivative with anticonvulsant and muscle relaxant properties. An ester of Oxazepam (O845700). Controlled Substance.

Technology Process of Oxazepam acetate

There total 11 articles about Oxazepam acetate 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: 91.3%

potassium acetate (127-08-2) + desmethyldiazepam (1088-11-5) → oxazepam 3-acetate (1824-74-4)

Guidance literature:

With dipotassium peroxodisulfate; iodine; In acetic acid; at 65 - 70 ℃; for 8h; Reagent/catalyst; Temperature; Time;

DOI:10.1021/op068009u

Reference yield:

acetic anhydride (108-24-7) + oxazepam (604-75-1) → oxazepam 3-acetate (1824-74-4) + oxazepam 1,3-diacetate (4765-48-4)

Guidance literature:

With pyridine; Ambient temperature;

DOI:10.1002/jps.2600781002

Reference yield:

oxazepam 3-acetate → oxazepam 3-acetate (1824-74-4)

Guidance literature:

In ethanol; acetonitrile; Rate constant; racemization half-life of title compound;

DOI:10.1002/jps.2600781002

upstream raw materials:

acetic anhydride

oxazepam

potassium acetate

desmethyldiazepam

Downstream raw materials:

(+)-Oxazepam

l-oxazepam acetate

oxazepam

(-)-Oxazepam

Refernces

• 1、 Cepanec, Ivica,Litvic, Mladen,Pogorelic, Ivan. "Efficient synthesis of 3-hydroxy-1,4-benzodiazepines oxazepam and lorazepam by new acetoxylation reaction of 3-position of 1,4-benzodiazepine ring". . p. 1192 - 1198. Retrieved 2012/12/23.
• 2、 Aso,Yoshioka,Shibazaki,Uchiyama. "The kinetics of the racemization of oxazepam in aqueous solution". . p. 1834 - 1840. Retrieved 2007/10/02.