tert-butyl 2-(2-chlorophenyl)-3-(4-chlorophenyl)-8-oxo-5,6,7,8-tetrahydro-2H-oxepino[3,2-c]pyrazole-7-carboxylate

Base Information

• Chemical Name: tert-butyl 2-(2-chlorophenyl)-3-(4-chlorophenyl)-8-oxo-5,6,7,8-tetrahydro-2H-oxepino[3,2-c]pyrazole-7-carboxylate
• CAS No.: 913368-45-3
• Molecular Formula: C₂₄H₂₂Cl₂N₂O₄
• Molecular Weight: 473.356

Synonyms:tert-butyl 2-(2-chlorophenyl)-3-(4-chlorophenyl)-8-oxo-5,6,7,8-tetrahydro-2H-oxepino[3,2-c]pyrazole-7-carboxylate

Chemical Property of tert-butyl 2-(2-chlorophenyl)-3-(4-chlorophenyl)-8-oxo-5,6,7,8-tetrahydro-2H-oxepino[3,2-c]pyrazole-7-carboxylate

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Technology Process of tert-butyl 2-(2-chlorophenyl)-3-(4-chlorophenyl)-8-oxo-5,6,7,8-tetrahydro-2H-oxepino[3,2-c]pyrazole-7-carboxylate

There total 2 articles about tert-butyl 2-(2-chlorophenyl)-3-(4-chlorophenyl)-8-oxo-5,6,7,8-tetrahydro-2H-oxepino[3,2-c]pyrazole-7-carboxylate 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: 90.0%

ethyl 4-(4-tert-butoxy-4-oxobutoxy)-1-(2-chlorophenyl)-5-(4-chlorophenyl)-1H-pyrazole-3-carboxylate (913368-44-2) → tert-butyl 2-(2-chlorophenyl)-3-(4-chlorophenyl)-8-oxo-5,6,7,8-tetrahydro-2H-oxepino[3,2-c]pyrazole-7-carboxylate (913368-45-3)

Guidance literature:

With potassium hexamethylsilazane; In tetrahydrofuran; for 1.25h;

DOI:10.1021/ml3000325

Reference yield:

ethyl 5-(4-chlorophenyl)-1-(2-chlorophenyl)-4-hydroxy-1H-pyrazole-3-carboxylate (851728-86-4) + tert-butyl 4-bromobutyrate (110661-91-1) → tert-butyl 2-(2-chlorophenyl)-3-(4-chlorophenyl)-8-oxo-5,6,7,8-tetrahydro-2H-oxepino[3,2-c]pyrazole-7-carboxylate (913368-45-3)

Guidance literature:

Multi-step reaction with 2 steps

1.1: potassium tert-butylate / N,N-dimethyl-formamide / 0.75 h / 0 °C

1.2: 0 - 20 °C

2.1: potassium hexamethylsilazane / tetrahydrofuran / 1.25 h

With potassium tert-butylate; potassium hexamethylsilazane; In tetrahydrofuran; N,N-dimethyl-formamide;

DOI:10.1021/ml3000325

Reference yield:

tert-butyl 2-(2-chlorophenyl)-3-(4-chlorophenyl)-8-oxo-5,6,7,8-tetrahydro-2H-oxepino[3,2-c]pyrazole-7-carboxylate (913368-45-3) → 2-(2-chlorophenyl)-3-(4-chlorophenyl)-6,7-dihydro-2H-oxepino[3,2-c]pyrazol-8(5H)-one (913368-46-4)

Guidance literature:

With trifluoroacetic acid; In methanol; dichloromethane; cyclohexane; at 20 ℃; for 2h;

upstream raw materials:

ethyl 4-(4-tert-butoxy-4-oxobutoxy)-1-(2-chlorophenyl)-5-(4-chlorophenyl)-1H-pyrazole-3-carboxylate

ethyl 5-(4-chlorophenyl)-1-(2-chlorophenyl)-4-hydroxy-1H-pyrazole-3-carboxylate

tert-butyl 4-bromobutyrate

Downstream raw materials:

2-(2-chlorophenyl)-3-(4-chlorophenyl)-6,7-dihydro-2H-oxepino[3,2-c]pyrazol-8(5H)-one

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