Etizolam

Base Information

• Chemical Name: Etizolam
• CAS No.: 40054-69-1
• Molecular Formula: C17H15ClN4S
• Molecular Weight: 342.852
• European Community (EC) Number: 662-368-4
• UNII: A76XI0HL37
• DSSTox Substance ID: DTXSID0023030
• Nikkaji Number: J23.586E
• Wikipedia: Etizolam
• Wikidata: Q409966
• NCI Thesaurus Code: C65583
• Metabolomics Workbench ID: 49605
• ChEMBL ID: CHEMBL1289779
• Mol file: 40054-69-1.mol

Synonyms:etizolam;etizolam, 14C-labeled;Y 7131;Y-7131

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Chemical Property of Etizolam

Chemical Property:

• Vapor Pressure: 6.02E-12mmHg at 25°C
• Melting Point: 147-148 °C
• Refractive Index: 1.733
• Boiling Point: 545.3 °C at 760 mmHg
• PKA: 2.37±0.40(Predicted)
• Flash Point: 283.6 °C
• PSA: 71.31000
• Density: 1.43 g/cm³
• LogP: 3.63960
• Storage Temp.: ?20°C
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 342.0705954
• Heavy Atom Count: 23
• Complexity: 474

Purity/Quality:

Safty Information:

• Hazard Codes: F,T
• Statements: 11-23/24/25-39/23/24/25
• Safety Statements: 7-16-36/37-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC2=C(S1)N3C(=NN=C3CN=C2C4=CC=CC=C4Cl)C
• Description: Etizolam is a benzodiazepine analog used for the short-term treatment of insomnia, anxiety or panic attacks. It has amnesic, anxiolytic, anticonvulsant, and hypnotic, sedative and skeletal muscle relaxant properties. It acts on the benzodiazepine site of the GABA-A receptor as an agonist to increase inhibitory GABAergic transmission throughout the central nervous system. Etizolam is a potent thienodiazepine anxiolytic closely related to brotizolam. Pharmacologically, however, its profile most resembles that of diazepam.
• Uses: Etilozam is a a thienodiazepine benzodiazepine derivative, and has amnesic, anxiolytic, anticonvulsant, hypnotic, sedative and skeletal muscle relaxant properties. Etizolam is an anxiolytic related to that of the classic benzodiazepines. Etizolam has effect on monoamine metabolism in brain. Etilozam can be used for the short-term treatment of insomnia, anxiety or panic attacks. Nasal Dilator

Technology Process of Etizolam

There total 5 articles about Etizolam 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-(2-Chlorophenyl)-7-ethyl-1,3-dihydro-2H-thieno[2,3-e]1,4-diazepin-2-one (33671-37-3) → etizolam (40054-69-1)

Guidance literature:

Multi-step reaction with 3 steps

1: P₂S₅, Py / 1 h / 80 °C

2: N₂H₄*H₂O / methanol / Ambient temperature

3: AcOH / benzene

With pyridine; tetraphosphorus decasulfide; hydrazine hydrate; acetic acid; In methanol; benzene;

Reference yield:

4-(2-chloro-phenyl)-2-ethyl-9-methyl-5,6-dihydro-4H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine (62551-51-3) → etizolam (40054-69-1)

Guidance literature:

With potassium permanganate; In acetone; Ambient temperature;

Reference yield:

5-(2-chlorophenyl)-7-ethyl-1,3-dihydro-2H-thieno[2,3-e]-1,4-diazepin-2-thione (40054-40-8) → etizolam (40054-69-1)

Guidance literature:

Multi-step reaction with 2 steps

1: N₂H₄*H₂O / methanol / Ambient temperature

2: AcOH / benzene

With hydrazine hydrate; acetic acid; In methanol; benzene;

upstream raw materials:

4-(2-chloro-phenyl)-2-ethyl-9-methyl-5,6-dihydro-4H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine

acetic anhydride

5-(2-chloro-phenyl)-7-ethyl-1,3-dihydro-thieno[2,3-e][1,4]diazepin-2-one hydrazone

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

Downstream raw materials:

[2-(3-Aminomethyl-5-methyl-[1,2,4]triazol-4-yl)-5-ethyl-thiophen-3-yl]-(2-chloro-phenyl)-methanol

3-aminomethyl-4-<3-(o-chlorobenzoyl)-5-ethylthiophen-2-yl>-5-methyl-4H-1,2,4-triazole hydrochloride

3-aminomethyl-4-(3-(2-chlorobenzoyl)-5-ethylthiophen-2-yl)-5-methyl[1,2,4]triazole

1-[4-(2-chloro-phenyl)-9-methyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepin-2-yl]-ethanone

Refernces