2-methyl-4-(1-methyl-1,3a,4,5,10,10a-hexahydrobenzo[b]-pyrazolo[3,4-e][1,4]diazepine-5-carbonyl)benzonitrile

Base Information

Chemical Name:2-methyl-4-(1-methyl-1,3a,4,5,10,10a-hexahydrobenzo[b]-pyrazolo[3,4-e][1,4]diazepine-5-carbonyl)benzonitrile
CAS No.:479234-62-3
Molecular Formula:C₂₀H₁₇N₅O
Molecular Weight:343.388
Hs Code.:

Synonyms:2-methyl-4-(1-methyl-1,3a,4,5,10,10a-hexahydrobenzo[b]-pyrazolo[3,4-e][1,4]diazepine-5-carbonyl)benzonitrile

Suppliers and Price of 2-methyl-4-(1-methyl-1,3a,4,5,10,10a-hexahydrobenzo[b]-pyrazolo[3,4-e][1,4]diazepine-5-carbonyl)benzonitrile

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 2-methyl-4-(1-methyl-1,3a,4,5,10,10a-hexahydrobenzo[b]-pyrazolo[3,4-e][1,4]diazepine-5-carbonyl)benzonitrile

Chemical Property:

Melting Point:253-256 °C
Boiling Point:621.4±55.0 °C(Predicted)
Density:1.30±0.1 g/cm3(Predicted)

Purity/Quality:: 97% ^*data from raw suppliers

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Technology Process of 2-methyl-4-(1-methyl-1,3a,4,5,10,10a-hexahydrobenzo[b]-pyrazolo[3,4-e][1,4]diazepine-5-carbonyl)benzonitrile

There total 12 articles about 2-methyl-4-(1-methyl-1,3a,4,5,10,10a-hexahydrobenzo[b]-pyrazolo[3,4-e][1,4]diazepine-5-carbonyl)benzonitrile 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: 87.0%

: 73831-13-7
4-cyano-3-methylbenzoic acid

: 479234-83-8
1-methyl-1,4,5,10-tetrahydrobenzo[b]pyrazolo[3,4-e][1,4]diazepine

: 479234-62-3
2-methyl-4-(1-methyl-1,3a,4,5,10,10a-hexahydrobenzo[b]-pyrazolo[3,4-e][1,4]diazepine-5-carbonyl)benzonitrile

Guidance literature:: 4-cyano-3-methylbenzoic acid; With thionyl chloride; In toluene; for 2h; Heating / reflux;

1-methyl-1,4,5,10-tetrahydrobenzo[b]pyrazolo[3,4-e][1,4]diazepine; With triethylamine; In dichloromethane; at 20 ℃;

Reference yield:

: 1160759-52-3
4-cyano-3-methylbenzoyl chloride

: 479234-83-8
1-methyl-1,4,5,10-tetrahydrobenzo[b]pyrazolo[3,4-e][1,4]diazepine

: 479234-62-3
2-methyl-4-(1-methyl-1,3a,4,5,10,10a-hexahydrobenzo[b]-pyrazolo[3,4-e][1,4]diazepine-5-carbonyl)benzonitrile

Guidance literature:: With triethylamine; In dichloromethane;
DOI:10.1016/j.bmcl.2004.04.107

Reference yield:

: 31037-02-2
ethyl 5-amino-1-methyl-1H-pyrazole-4-carboxylate

: 479234-62-3
2-methyl-4-(1-methyl-1,3a,4,5,10,10a-hexahydrobenzo[b]-pyrazolo[3,4-e][1,4]diazepine-5-carbonyl)benzonitrile

Guidance literature:: Multi-step reaction with 5 steps

1: 62 percent / NaH / tetrahydrofuran

2: 92 percent / H₂ / Pd/C / methanol

3: 40 percent / dimethylsulfoxide / 2.5 h / 75 °C

4: 98 percent / LiAlH₄ / tetrahydrofuran

5: Et₃N / CH₂Cl₂

With lithium aluminium tetrahydride; hydrogen; sodium hydride; triethylamine; palladium on activated charcoal; In tetrahydrofuran; methanol; dichloromethane; dimethyl sulfoxide;
DOI:10.1016/j.bmcl.2004.04.107