Methyl 2-cyano-2-(cyclohex-1-enyl)propionate

Base Information

• Chemical Name: Methyl 2-cyano-2-(cyclohex-1-enyl)propionate
• CAS No.: 69016-12-2
• Molecular Formula: C11H15 N O2
• Molecular Weight: 193.246
• European Community (EC) Number: 273-787-3
• DSSTox Substance ID: DTXSID20988770
• Nikkaji Number: J332.791D
• Mol file: 69016-12-2.mol

Synonyms:69016-12-2;Methyl 2-cyano-2-(cyclohex-1-enyl)propionate;EINECS 273-787-3;Methylcyclohexenylcyanoacetic acid methyl ester;DTXSID20988770;Methyl 2-cyano-2-(cyclohex-1-en-1-yl)propanoate;2-Cyano-2-(1-cyclohexenyl)propionic acid methyl ester

Chemical Property of Methyl 2-cyano-2-(cyclohex-1-enyl)propionate

Chemical Property:

• Vapor Pressure: 0.0023mmHg at 25°C
• Boiling Point: 288.7°C at 760 mmHg
• Flash Point: 132.2°C
• PSA: 50.09000
• Density: 1.089g/cm³
• LogP: 2.18968
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 193.110278721
• Heavy Atom Count: 14
• Complexity: 311

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C#N)(C1=CCCCC1)C(=O)OC

Technology Process of Methyl 2-cyano-2-(cyclohex-1-enyl)propionate

There total 1 articles about Methyl 2-cyano-2-(cyclohex-1-enyl)propionate 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:

ethyl 1-cyclohexenylcyanoacetate (58567-40-1) + methyl iodide (74-88-4) → Methylcyclohexenylcyanoacetic acid methyl ester (69016-12-2)

Guidance literature:

With sodium methylate;

Reference yield:

Methylcyclohexenylcyanoacetic acid methyl ester (69016-12-2) → 2-(1'-Cyclohexenyl)-2-methyl-acetonitrile (26157-49-3)

Guidance literature:

Reaktion ueber mehrere Stufen;

upstream raw materials:

ethyl 1-cyclohexenylcyanoacetate

methyl iodide

Downstream raw materials:

2-(1'-Cyclohexenyl)-2-methyl-acetonitrile

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