Ethyl-alpha-cyano-alpha(3,5-dimethyl-4-oxacyclohexylidene)acetate

Base Information

• Chemical Name: Ethyl-alpha-cyano-alpha(3,5-dimethyl-4-oxacyclohexylidene)acetate
• CAS No.: 93136-82-4
• Molecular Formula: C₁₂H₁₇NO₃
• Molecular Weight: 223.272
• NSC Number: 172295
• DSSTox Substance ID: DTXSID50908123
• Nikkaji Number: J85.230I
• Mol file: 93136-82-4.mol

Synonyms:10292-81-6;Ethyl-alpha-cyano-alpha(3,5-dimethyl-4-oxacyclohexylidene)acetate;ACETIC ACID, alpha-CYANO-alpha-(3,5-DIMETHYL-4-OXACYCLOHEXYLIDENE)-, ETHYL ESTER;NSC172295;DTXSID50908123;NSC-172295;93136-82-4;Ethyl cyano(2,6-dimethyloxan-4-ylidene)acetate;alpha-Cyano-alpha-(2,6-dimethyltetrahydro-4H-pyran-4-ylidene)acetic acid ethyl ester

Chemical Property of Ethyl-alpha-cyano-alpha(3,5-dimethyl-4-oxacyclohexylidene)acetate

Chemical Property:

• Vapor Pressure: 9.78E-05mmHg at 25°C
• Boiling Point: 338.5°Cat760mmHg
• Flash Point: 147.6°C
• Density: 1.067g/cm³
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 223.12084340
• Heavy Atom Count: 16
• Complexity: 339

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of Ethyl-alpha-cyano-alpha(3,5-dimethyl-4-oxacyclohexylidene)acetate

There total 1 articles about Ethyl-alpha-cyano-alpha(3,5-dimethyl-4-oxacyclohexylidene)acetate 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:

→ 2-Cyan-2-<2,6-dimethyl-tetrahydropyranyliden-(4)>-essigsaeureaethylester (93136-82-4)

Guidance literature:

2,6-Dimethyl-tetrahydropyranon-(4), Cyanessigsaeureaethylester, Piperidin;

DOI:10.1021/jm00340a012