Ethyl 2-cyano-3-ethylpentanoate

Base Information

• Chemical Name: Ethyl 2-cyano-3-ethylpentanoate
• CAS No.: 28456-66-8
• Molecular Formula: C₁₀H₁₇NO₂
• Molecular Weight: 183.25
• DSSTox Substance ID: DTXSID101031156
• Nikkaji Number: J192.683G
• Mol file: 28456-66-8.mol

Synonyms:ETHYL 2-CYANO-3-ETHYLPENTANOATE;28456-66-8;2-Cyano-3-ethylvaleric Acid Ethyl Ester;SCHEMBL6508549;PMGOTRBPIFDHHP-UHFFFAOYSA-N;DTXSID101031156;AKOS006278540

Chemical Property of Ethyl 2-cyano-3-ethylpentanoate

Chemical Property:

• Vapor Pressure: 0.098mmHg at 25°C
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 183.125928785
• Heavy Atom Count: 13
• Complexity: 200

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC(CC)C(C#N)C(=O)OCC

Technology Process of Ethyl 2-cyano-3-ethylpentanoate

There total 4 articles about Ethyl 2-cyano-3-ethylpentanoate 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: 60.0%

ethyl 2-cyanoacetate (105-56-6) + pentan-3-one (96-22-0) → 3-Ethyl-2-cyan-pentansaeure-ethylester (28456-66-8)

Guidance literature:

With diethyl 2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate; L-proline; In dimethyl sulfoxide; at 25 ℃;

DOI:10.1039/b602696f

Reference yield:

3-bromopentane (1809-10-5) + ethyl 2-cyanoacetate (105-56-6) → 3-Ethyl-2-cyan-pentansaeure-ethylester (28456-66-8)

Guidance literature:

With sodium ethanolate;

DOI:10.1021/ja01299a012

Reference yield:

ethyl 2-cyano-3,3-diethylacrylate (868-04-2) → 3-Ethyl-2-cyan-pentansaeure-ethylester (28456-66-8)

Guidance literature:

With diethyl ether; aluminium amalgam;

upstream raw materials:

ethyl 2-cyano-3,3-diethylacrylate

3-bromopentane

ethyl 2-cyanoacetate

pentan-3-one

Refernces

• 1、 Ramachary, Dhevalapally B.,Kishor,Reddy, G. Babul. "Development of drug intermediates by using direct organocatalytic multi-component reactions". . p. 1641 - 1646. Retrieved 2008/02/03.