Ethyl 2-cyclohexylidenepropanoate

Base Information

• Chemical Name: Ethyl 2-cyclohexylidenepropanoate
• CAS No.: 63963-01-9
• Molecular Formula: C11H18O2
• Molecular Weight: 182.263
• DSSTox Substance ID: DTXSID00501562
• Nikkaji Number: J374.855C
• Mol file: 63963-01-9.mol

Synonyms:ethyl 2-cyclohexylidenepropanoate;63963-01-9;2-cyclohexylidene-propionic acid ethyl ester;SCHEMBL25547583;DTXSID00501562

Chemical Property of Ethyl 2-cyclohexylidenepropanoate

Chemical Property:

• XLogP3: 2.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 182.130679813
• Heavy Atom Count: 13
• Complexity: 208

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)C(=C1CCCCC1)C

Technology Process of Ethyl 2-cyclohexylidenepropanoate

There total 21 articles about Ethyl 2-cyclohexylidenepropanoate 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: 97.0%

3-carbethoxy-3-methyloxetan-2-one-4-spirocyclohexane (131436-15-2) → ethyl 2-cyclohexilidenepropionate (63963-01-9)

Guidance literature:

With silica gel; In cyclohexane; for 4h; Heating;

DOI:10.1021/jo00003a047

Reference yield: 94.0%

ethyl 2-diethoxyphosphorylpropionate (3699-66-9) + cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) → ethyl 2-cyclohexilidenepropionate (63963-01-9)

Guidance literature:

ethyl 2-diethoxyphosphorylpropionate; With sodium hydride; In tetrahydrofuran; mineral oil; at 0 - 20 ℃; for 0.5h; Schlenk technique; Inert atmosphere;

cyclohexanone; In tetrahydrofuran; mineral oil; at 20 ℃; Schlenk technique; Inert atmosphere;

DOI:10.1002/anie.201911012

Reference yield: 84.0%

ethyl diazoalaninate (6111-99-5) + cyclohexanone (108-94-1,11119-77-0,9003-41-2,9075-99-4) → ethyl 2-cyclohexilidenepropionate (63963-01-9)

Guidance literature:

With Fe(TCP)Cl; polyethylene supported arsine; polymethylhydrosiloxane; In toluene; at 110 ℃; for 36h; Inert atmosphere;

DOI:10.1039/c1cc16747b

upstream raw materials:

2-cyclohex-1-enyl-propionic acid ethyl ester

sodium ethanolate

Ethyl 2-mercaptopropionate

cyclohexanone

Downstream raw materials:

2-cyclohexylidene-1-propanol

Ethyl 2-cyclohexylpropionate

4-cyclohexylidene-2-methylpent-1-en-3-ol

4-cyclohexylidene-2-methylpent-1-en-3-one