CLOTIAZEPAM

Base Information

• Chemical Name: CLOTIAZEPAM
• CAS No.: 33671-46-4
• Molecular Formula: C16H15 Cl N2 O S
• Molecular Weight: 318.827
• European Community (EC) Number: 251-627-3
• UNII: ZCN055599V
• DSSTox Substance ID: DTXSID0022852
• Nikkaji Number: J9.292D
• Wikipedia: Clotiazepam
• Wikidata: Q2263999
• NCI Thesaurus Code: C80672
• Metabolomics Workbench ID: 43568
• ChEMBL ID: CHEMBL1697737
• Mol file: 33671-46-4.mol

Synonyms:2H-Thieno[2,3-e]-1,4-diazepin-2-one,5-(o-chlorophenyl)-7-ethyl-1,3-dihydro-1-methyl- (8CI);1-Methyl-5-o-chlorophenyl-7-ethyl-1,2-dihydro-3H-thieno[2,3-e][1,4]diazepin-2-one;5-(o-Chlorophenyl)-7-ethyl-1-methyl-1,2-dihydro-3H-thieno[2,3-e][1,4]diazepin-2-one;Clotiazepam; Clozan; Rize; Rizen; Tienor; Trecalmo; Veratran; Y 6047

 This product is a nationally controlled contraband, and the Lookchem platform doesn't provide relevant sales information.

Chemical Property of CLOTIAZEPAM

Chemical Property:

• Vapor Pressure: 4.6E-11mmHg at 25°C
• Melting Point: 105-106°
• Refractive Index: 1.6100 (estimate)
• Boiling Point: 523.7 °C at 760 mmHg
• PKA: 2.36±0.20(Predicted)
• Flash Point: 270.5 °C
• PSA: 60.91000
• Density: 1.33 g/cm³
• LogP: 3.27830
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 318.0593620
• Heavy Atom Count: 21
• Complexity: 442

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC2=C(S1)N(C(=O)CN=C2C3=CC=CC=C3Cl)C
• Recent EU Clinical Trials: Self-help program for hypnotics withdrawal in insomniac patients: A randomized controlled clinical trial.
• Uses: A thienodiazepine derivative that possesses anxiolytic, skeletal muscle relaxant anticonvulsant, sedative properties as well as contributing to siginificant increase stage 2 NREM sleep. It binds to be nzodiazepine site of the GABAA receptor where it acts as a full agonist resulting in enhanced GABA inhibitory effect at the GABAA receptor. Controlled Substance.
• Therapeutic Function: Tranquilizer

Technology Process of CLOTIAZEPAM

There total 3 articles about CLOTIAZEPAM 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-(Aminoacetamido)-3-(2-Chlorobenzoyl)-5-ethylthiophene (50509-09-6) → clotiazepam (33671-46-4)

Guidance literature:

Multi-step reaction with 2 steps

1: AcOH / pyridine; benzene

2: (i) NaH, DMF, (ii) /BRN= 969135/

With acetic acid; In pyridine; benzene;

DOI:10.1021/jm00261a010

Reference yield:

5-(2-Chlorophenyl)-7-ethyl-1,3-dihydro-2H-thieno[2,3-e]1,4-diazepin-2-one (33671-37-3) + methyl iodide (74-88-4) → clotiazepam (33671-46-4)

Guidance literature:

Multistep reaction; (i) NaH, DMF, (ii) /BRN= 969135/;

DOI:10.1021/jm00261a010

Reference yield:

→ clotiazepam (33671-46-4)

Guidance literature:

1-umsubst.Verb.,Dimethylsulfat;

upstream raw materials:

5-(2-Chlorophenyl)-7-ethyl-1,3-dihydro-2H-thieno[2,3-e]1,4-diazepin-2-one

methyl iodide

2-(Aminoacetamido)-3-(2-Chlorobenzoyl)-5-ethylthiophene

Downstream raw materials:

5-(2-chlorophenyl)-7-ethyl-3-hydroxy-1-methyl-1,3-dihydro-2H-thieno[2,3-e][1,4]diazepin-2-one

2-Amino-N-[3-(2-chloro-benzoyl)-5-ethyl-thiophen-2-yl]-N-methyl-acetamide