3a,4,5,11-tetrahydro-1,3a-di(4-chlorophenyl)-5-(3-methyl-1-phenyl-5-phenylthio-1H-pyrazol-4-yl)-[1,2,4]oxadiazolo[5,4-d][1,5]benzothiazepine

Base Information

• Chemical Name: 3a,4,5,11-tetrahydro-1,3a-di(4-chlorophenyl)-5-(3-methyl-1-phenyl-5-phenylthio-1H-pyrazol-4-yl)-[1,2,4]oxadiazolo[5,4-d][1,5]benzothiazepine
• CAS No.: 1295642-37-3
• Molecular Formula: C₃₈H₂₈Cl₂N₄OS₂
• Molecular Weight: 691.705

Synonyms:

Chemical Property of 3a,4,5,11-tetrahydro-1,3a-di(4-chlorophenyl)-5-(3-methyl-1-phenyl-5-phenylthio-1H-pyrazol-4-yl)-[1,2,4]oxadiazolo[5,4-d][1,5]benzothiazepine

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

Technology Process of 3a,4,5,11-tetrahydro-1,3a-di(4-chlorophenyl)-5-(3-methyl-1-phenyl-5-phenylthio-1H-pyrazol-4-yl)-[1,2,4]oxadiazolo[5,4-d][1,5]benzothiazepine

There total 4 articles about 3a,4,5,11-tetrahydro-1,3a-di(4-chlorophenyl)-5-(3-methyl-1-phenyl-5-phenylthio-1H-pyrazol-4-yl)-[1,2,4]oxadiazolo[5,4-d][1,5]benzothiazepine 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: 21.0%

2,3-dihydro-2-(3-methyl-1-phenyl-5-phenylthio-1H-pyrazol-4-yl)-4-(4-chlorophenyl)-1,5-benzothiazepine (1295642-24-8) + 4-chlorobenzohydroximoyl chloride (28123-63-9) → 3a,4,5,11-tetrahydro-1,3a-di(4-chlorophenyl)-5-(3-methyl-1-phenyl-5-phenylthio-1H-pyrazol-4-yl)-[1,2,4]oxadiazolo[5,4-d][1,5]benzothiazepine (1295642-37-3)

Guidance literature:

With triethylamine; In dichloromethane; at 20 ℃; for 24h; regioselective reaction;

DOI:10.1002/jhet.520

Reference yield:

para-chloroacetophenone (99-91-2) → 3a,4,5,11-tetrahydro-1,3a-di(4-chlorophenyl)-5-(3-methyl-1-phenyl-5-phenylthio-1H-pyrazol-4-yl)-[1,2,4]oxadiazolo[5,4-d][1,5]benzothiazepine (1295642-37-3)

Guidance literature:

Multi-step reaction with 3 steps

3: triethylamine / dichloromethane / 24 h / 20 °C

With triethylamine; In dichloromethane; 2: Michael addition;

DOI:10.1002/jhet.520

Reference yield:

3-(3-methyl-1-phenyl-5-phenylthio-1H-pyrazol-4-yl)-1-(4-chlorophenyl)-2-propen-1-one (1295642-21-5) → 3a,4,5,11-tetrahydro-1,3a-di(4-chlorophenyl)-5-(3-methyl-1-phenyl-5-phenylthio-1H-pyrazol-4-yl)-[1,2,4]oxadiazolo[5,4-d][1,5]benzothiazepine (1295642-37-3)

Guidance literature:

Multi-step reaction with 2 steps

2: triethylamine / dichloromethane / 24 h / 20 °C

With triethylamine; In dichloromethane; 1: Michael addition;

DOI:10.1002/jhet.520

upstream raw materials:

2,3-dihydro-2-(3-methyl-1-phenyl-5-phenylthio-1H-pyrazol-4-yl)-4-(4-chlorophenyl)-1,5-benzothiazepine

4-chlorobenzohydroximoyl chloride

3-(3-methyl-1-phenyl-5-phenylthio-1H-pyrazol-4-yl)-1-(4-chlorophenyl)-2-propen-1-one

para-chloroacetophenone

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