Oxazolam

Base Information

• Chemical Name: Oxazolam
• CAS No.: 24143-17-7
• Molecular Formula: C18H17 Cl N2 O2
• Molecular Weight: 328.798
• European Community (EC) Number: 246-032-0
• UNII: 1V2WI2NA1C
• DSSTox Substance ID: DTXSID5023401
• Nikkaji Number: J3.472J
• Wikipedia: Oxazolam
• Wikidata: Q100348872
• NCI Thesaurus Code: C166515
• Metabolomics Workbench ID: 155519
• ChEMBL ID: CHEMBL2104805
• Mol file: 24143-17-7.mol

Synonyms:10-chloro-2,3,7,11b-tetrahydro-2-methyl-11b-phenylbenzo(6,7)(1,4)diazepino(5,4-b) oxazol-6-one;oxazolam;oxazolam, (trans)-isomer;oxazolazepam

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Chemical Property of Oxazolam

Chemical Property:

• Vapor Pressure: 5.71E-10mmHg at 25°C
• Melting Point: 187°C
• Refractive Index: 1.5400 (estimate)
• Boiling Point: 495.8°C at 760 mmHg
• PKA: 12.85±0.60(Predicted)
• Flash Point: 253.7°C
• PSA: 45.06000
• Density: 1.37g/cm³
• LogP: 3.23690
• Storage Temp.: 2-8°C
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 328.0978555
• Heavy Atom Count: 23
• Complexity: 468

Purity/Quality:

Safty Information:

• Pictogram(s): F,T
• Hazard Codes: F,T
• Statements: 11-23/24/25-39/23/24/25-36/38-23/25
• Safety Statements: 16-36/37-45-24

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1CN2CC(=O)NC3=C(C2(O1)C4=CC=CC=C4)C=C(C=C3)Cl
• Uses: A psychotropic agent with anxiolytic, anticonvulsant, sedative and skeletal muscle relaxant properties. It is a precursor to the active substance Desmethyldiazepam (D291595).
• Therapeutic Function: Tranquilizer

Technology Process of Oxazolam

There total 10 articles about Oxazolam 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:

2-(2-bromoacetamido)-5-chloro-benzophenone (32580-26-0) + 3-amino-2-propanol (78-96-6,1674-56-2) → oxazolam (24143-17-7)

Guidance literature:

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

Reference yield:

2-(4b-hydroxyisopropylamino)acetanilide-5-chlorobenzophenone (24111-57-7) → oxazolam (24143-17-7)

Guidance literature:

With toluene-4-sulfonic acid; In toluene;

Reference yield:

7-Chloro-4-(2-hydroxy-propyl)-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-4-ium (47267-80-1) → oxazolam (24143-17-7)

Guidance literature:

With borate buffer (pH=8-10.5); In ethanol; water; Equilibrium constant; Mechanism; variation of pH and buffers.;

DOI:10.1248/cpb.30.3810

upstream raw materials:

2-(4b-hydroxyisopropylamino)acetanilide-5-chlorobenzophenone

7-Chloro-4-(2-hydroxy-propyl)-2-oxo-5-phenyl-2,3-dihydro-1H-benzo[e][1,4]diazepin-4-ium

2-(2-bromoacetamido)-5-chloro-benzophenone

3-amino-2-propanol

Downstream raw materials:

10-chloro-2c-methyl-11b-phenyl-(11br)-2,3,7,11b-hexahydro-benzo[f]oxazolo[3,2-e][1,4]diazepin-6-one

10-chloro-2t-methyl-11b-phenyl-(11br)-2,3,7,11b-hexahydro-benzo[f]oxazolo[3,2-e][1,4]diazepin-6-one

7-allyl-10-chloro-2t-methyl-11b-phenyl-(11br)-2,3,7,11b-hexahydro-benzo[f]oxazolo[3,2-e][1,4]diazepin-6-one

10-chloro-7-(4-chloro-benzyl)-2t-methyl-11b-phenyl-(11br)-2,3,7,11b-hexahydro-benzo[f]oxazolo[3,2-e][1,4]diazepin-6-one