3-(1,3-Dioxo-1,3,3a,4,7,7a-hexahydro-2h-4,7-methanoisoindol-2-yl)propanenitrile

Base Information

• Chemical Name: 3-(1,3-Dioxo-1,3,3a,4,7,7a-hexahydro-2h-4,7-methanoisoindol-2-yl)propanenitrile
• CAS No.: 1209-99-0
• Molecular Formula: C₁₂H₁₂N₂O₂
• Molecular Weight: 216.239
• NSC Number: 68813,24064
• DSSTox Substance ID: DTXSID70282073

Synonyms:1209-99-0;3-(1,3-Dioxo-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindol-2(3H)-yl)propanenitrile;3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2h-4,7-methanoisoindol-2-yl)propanenitrile;NSC24064;DTXSID70282073;NSC68813;NSC-24064;NSC-68813

Chemical Property of 3-(1,3-Dioxo-1,3,3a,4,7,7a-hexahydro-2h-4,7-methanoisoindol-2-yl)propanenitrile

Chemical Property:

• Vapor Pressure: 1.62E-08mmHg at 25°C
• XLogP3: 0
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 216.089877630
• Heavy Atom Count: 16
• Complexity: 415

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1C2C=CC1C3C2C(=O)N(C3=O)CCC#N

Technology Process of 3-(1,3-Dioxo-1,3,3a,4,7,7a-hexahydro-2h-4,7-methanoisoindol-2-yl)propanenitrile

There total 2 articles about 3-(1,3-Dioxo-1,3,3a,4,7,7a-hexahydro-2h-4,7-methanoisoindol-2-yl)propanenitrile 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:

acrylonitrile (107-13-1,25014-41-9) → N,N-(norborn-5-ene-2endo,3endo-dicarbonyl)-β-alanine-nitrile (1209-99-0)

Guidance literature:

With sodium hydroxide;

DOI:10.1021/ja01603a031

Reference yield:

2-cyanoethylamine (151-18-8,60585-38-8) + 3,6-endomethylene-1,2,3,6-tetrahydrophthalic anhydride (129-64-6) → N,N-(norborn-5-ene-2endo,3endo-dicarbonyl)-β-alanine-nitrile (1209-99-0)

Guidance literature:

With benzene;

upstream raw materials:

2-cyanoethylamine

3,6-endomethylene-1,2,3,6-tetrahydrophthalic anhydride

acrylonitrile

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