4-Benzyl-2,4-diazabicyclo[4.1.0]hept-2-en-5-one

Base Information

Chemical Name:4-Benzyl-2,4-diazabicyclo[4.1.0]hept-2-en-5-one
CAS No.:89185-17-1
Molecular Formula:C₁₂H₁₂N₂O
Molecular Weight:200.24
Hs Code.:
DSSTox Substance ID:DTXSID20519886

Synonyms:89185-17-1;4-Benzyl-2,4-diazabicyclo[4.1.0]hept-2-en-5-one;DTXSID20519886

Suppliers and Price of 4-Benzyl-2,4-diazabicyclo[4.1.0]hept-2-en-5-one

Supply Marketing:

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

Manufacturers and distributors:

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Chemical Property of 4-Benzyl-2,4-diazabicyclo[4.1.0]hept-2-en-5-one

Chemical Property:

XLogP3:0.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:200.094963011
Heavy Atom Count:15
Complexity:294

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1C2C1N=CN(C2=O)CC3=CC=CC=C3

Technology Process of 4-Benzyl-2,4-diazabicyclo[4.1.0]hept-2-en-5-one

There total 2 articles about 4-Benzyl-2,4-diazabicyclo[4.1.0]hept-2-en-5-one 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: 27.0%

: 70775-39-2,5367-24-8
dimethylsulfoxonium methylide

: 6146-23-2
3-benzylpyrimidine-4(3H)-one

: 89185-18-2
(Z)-N-benzyl-3-formylaminoacrylamide

: 89185-17-1
4-benzyl-2,4-diazabicyclo<4.1.0>hept-2-en-5-one

Guidance literature:: In tetrahydrofuran; for 4h; Yields of byproduct given; Heating;

Reference yield:

: 6146-23-2
3-benzylpyrimidine-4(3H)-one

: 89185-18-2
(Z)-N-benzyl-3-formylaminoacrylamide

: 89185-17-1
4-benzyl-2,4-diazabicyclo<4.1.0>hept-2-en-5-one

Guidance literature:: With dimethyloxosulfonium methylide; water; Yield given. Multistep reaction. Yields of byproduct given; 1.) RT (0.5 h), 40 - 60 deg C (4 h);