Deschloroetizolam

Base Information

• Chemical Name: Deschloroetizolam
• CAS No.: 40054-73-7
• Molecular Formula: C17H16N4S
• Molecular Weight: 308.407
• UNII: 69HF7J354D
• DSSTox Substance ID: DTXSID901032639
• Nikkaji Number: J3.465.797A
• Wikipedia: Deschloroetizolam
• Wikidata: Q18206487
• Mol file: 40054-73-7.mol

Synonyms:2-Ethyl-9-methyl-4-phenyl-6H-thieno(3,2-f)(1,2,4)triazolo(4,3-a)(1,4)diazepine;deschloroetizolam;MFCD02942552

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

Chemical Property of Deschloroetizolam

Chemical Property:

• PSA: 71.31000
• LogP: 2.98620
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 308.10956770
• Heavy Atom Count: 22
• Complexity: 434

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC2=C(S1)N3C(=NN=C3CN=C2C4=CC=CC=C4)C

Technology Process of Deschloroetizolam

There total 4 articles about Deschloroetizolam 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:

7-Ethyl-5-phenyl-1,3-dihydrothieno<2,3-e>-1,4-diazepin-2-one (39227-95-7) → 2-ethyl-9-methyl-4-phenyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine (40054-73-7)

Guidance literature:

Multi-step reaction with 3 steps

1: P₂S₅, Py / 1 h

2: N₂H₄*H₂O / methanol / Ambient temperature

3: AcOH / benzene

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

Reference yield:

7-ethyl-5-phenyl-1,3-dihydro-thieno[2,3-e][1,4]diazepine-2-thione (40054-57-7) → 2-ethyl-9-methyl-4-phenyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine (40054-73-7)

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;

Reference yield:

acetic anhydride (108-24-7) + 7-ethyl-5-phenyl-1,3-dihydro-thieno[2,3-e][1,4]diazepin-2-one hydrazone (40054-44-2) → 2-ethyl-9-methyl-4-phenyl-6H-thieno[3,2-f][1,2,4]triazolo[4,3-a][1,4]diazepine (40054-73-7)

Guidance literature:

With acetic acid; In benzene;

upstream raw materials:

acetic anhydride

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

7-Ethyl-5-phenyl-1,3-dihydrothieno<2,3-e>-1,4-diazepin-2-one

7-ethyl-5-phenyl-1,3-dihydro-thieno[2,3-e][1,4]diazepine-2-thione