4H-Thieno(3,4-b)(1,5)benzodiazepine, 10-(4-methyl-1-piperazinyl)-

Base Information

• Chemical Name: 4H-Thieno(3,4-b)(1,5)benzodiazepine, 10-(4-methyl-1-piperazinyl)-
• CAS No.: 59681-45-7
• Molecular Formula: C₁₆H₁₈N₄S
• Molecular Weight: 298.412
• DSSTox Substance ID: DTXSID60208368
• ChEMBL ID: CHEMBL169737

Synonyms:BRN 0625742;4H-Thieno(3,4-b)(1,5)benzodiazepine, 10-(4-methyl-1-piperazinyl)-;10-(4-Methyl-1-piperazinyl)-4H-thieno(3,4-b)(1,5)benzodiazepine;59681-45-7;CHEMBL169737;SCHEMBL11531378;C16H18N4S;DTXSID60208368;LS-152318

Chemical Property of 4H-Thieno(3,4-b)(1,5)benzodiazepine, 10-(4-methyl-1-piperazinyl)-

Chemical Property:

• Vapor Pressure: 7.93E-09mmHg at 25°C
• Boiling Point: 465.1°C at 760 mmHg
• Flash Point: 235.1°C
• Density: 1.35g/cm³
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 298.12521776
• Heavy Atom Count: 21
• Complexity: 405

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCN(CC1)C2=NC3=CC=CC=C3NC4=CSC=C42

Technology Process of 4H-Thieno(3,4-b)(1,5)benzodiazepine, 10-(4-methyl-1-piperazinyl)-

There total 12 articles about 4H-Thieno(3,4-b)(1,5)benzodiazepine, 10-(4-methyl-1-piperazinyl)- 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:

10-methylsulfanyl-4H-benzo[b]thieno[3,4-e][1,4]diazepine (59681-44-6) → 10-(4-methyl-piperazin-1-yl)-4H-benzo[b]thieno[3,4-e][1,4]diazepine (59681-45-7)

Guidance literature:

With ammonium hydroxide; In 1-methyl-piperazine; acetic acid;

Reference yield:

1-methyl-piperazine (109-01-3) + 4H-benzo[b]thieno[3,4-e][1,4]diazepin-10-ylamine (61325-35-7) → 10-(4-methyl-piperazin-1-yl)-4H-benzo[b]thieno[3,4-e][1,4]diazepine (59681-45-7)

Guidance literature:

titanium tetrachloride; In methanol; chloroform; methoxybenzene;

Reference yield:

1-methyl-piperazine (109-01-3) + 10-Amino-4H-2,5-dihydrothieno[3,4-b][1,5]benzodiazepine → 10-(4-methyl-piperazin-1-yl)-4H-benzo[b]thieno[3,4-e][1,4]diazepine (59681-45-7)

Guidance literature:

titanium tetrachloride; In methanol; chloroform; methoxybenzene;

upstream raw materials:

1-methyl-piperazine

10-methylsulfanyl-4H-benzo[b]thieno[3,4-e][1,4]diazepine

4,9-dihydro-benzo[b]thieno[3,4-e][1,4]diazepine-10-thione

methyl 4-oxotetrahydrothiophene-3-carboxylate

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