2-Oxo-1,3-cyclohexanedipropionitrile

Base Information

• Chemical Name: 2-Oxo-1,3-cyclohexanedipropionitrile
• CAS No.: 5931-91-9
• Molecular Formula: C₁₂H₁₆N₂O
• Molecular Weight: 204.272
• European Community (EC) Number: 637-379-2
• Mol file: 5931-91-9.mol

Synonyms:2-OXO-1,3-CYCLOHEXANEDIPROPIONITRILE;5931-91-9;3-[3-(2-cyanoethyl)-2-oxocyclohexyl]propanenitrile;3,3'-(2-Oxocyclohexane-1,3-diyl)dipropanenitrile;starbld0041489;AKOS022648041

Chemical Property of 2-Oxo-1,3-cyclohexanedipropionitrile

Chemical Property:

• XLogP3: 1.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 204.126263138
• Heavy Atom Count: 15
• Complexity: 287

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Oxo-1,3-cyclohexanedipropionitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CC(C(=O)C(C1)CCC#N)CCC#N

Technology Process of 2-Oxo-1,3-cyclohexanedipropionitrile

There total 7 articles about 2-Oxo-1,3-cyclohexanedipropionitrile 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:

1-(1-Cyclohexen-1-yl)pyrrolidine (1125-99-1) → 3,3'-(2-oxo-cyclohexane-1r,3c-diyl)-di-propionitrile (5931-91-9)

Guidance literature:

Multi-step reaction with 2 steps

2: pyrrolidine

With pyrrolidine;

DOI:10.1021/ja01600a087

Reference yield:

cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) + acrylonitrile (107-13-1,25014-41-9) → 3,3'-(2-oxo-cyclohexane-1r,3c-diyl)-di-propionitrile (5931-91-9)

Guidance literature:

With pyrrolidine;

DOI:10.1021/ja00885a021 DOI:10.1021/ja01600a087

Reference yield:

cyclohexanone-2-propionitrile (4594-78-9) + acrylonitrile (107-13-1,25014-41-9) → 3,3'-(2-oxo-cyclohexane-1r,3c-diyl)-di-propionitrile (5931-91-9)

Guidance literature:

With pyrrolidine;

DOI:10.1021/ja00885a021 DOI:10.1021/ja01600a087

upstream raw materials:

1-(1-Cyclohexen-1-yl)pyrrolidine

acrylonitrile

cyclohexanone

cyclohexanone-2-propionitrile

Downstream raw materials:

3-[3-(2-carboxyethyl)-2-oxocyclohexyl]propanoic acid

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