Cyclohexanecarboxylic acid, 5-cyano-2-oxo-5-phenyl-, Methyl ester

Base Information

• Chemical Name: Cyclohexanecarboxylic acid, 5-cyano-2-oxo-5-phenyl-, Methyl ester
• CAS No.: 38289-20-2
• Molecular Formula: C15H15NO3
• Molecular Weight: 257.289
• Hs Code.: 2926909090
• Mol file: 38289-20-2.mol

Synonyms:Cyclohexanecarboxylic acid, 5-cyano-2-oxo-5-phenyl-, Methyl ester;Methyl 5-cyano-2-oxo-5-phenylcyclohexanecarboxylate

Chemical Property of Cyclohexanecarboxylic acid, 5-cyano-2-oxo-5-phenyl-, Methyl ester

Chemical Property:

• PSA: 67.16000
• LogP: 1.99018
• Storage Temp.: 2-8°C

Purity/Quality:

99% ^*data from raw suppliers

Methyl5-cyano-2-oxo-5-phenylcyclohexanecarboxylate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Cyclohexanecarboxylic acid, 5-cyano-2-oxo-5-phenyl-, Methyl ester

There total 4 articles about Cyclohexanecarboxylic acid, 5-cyano-2-oxo-5-phenyl-, Methyl ester 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: 92.0%

dimethyl 4-cyano-4-phenylheptanedioate (38289-18-8) → methyl 5-cyano-5-phenyl-2-oxocyclohexanecarboxylate (38289-20-2)

Guidance literature:

With potassium tert-butylate; In tetrahydrofuran; Reflux;

Reference yield: 60.0%

→ methyl 5-cyano-5-phenyl-2-oxocyclohexanecarboxylate (38289-20-2)

Guidance literature:

Reference yield:

phenylacetonitrile (140-29-4) + acrylic acid methyl ester (292638-85-8,9003-21-8,96-33-3) → methyl 5-cyano-5-phenyl-2-oxocyclohexanecarboxylate (38289-20-2)

Guidance literature:

With disodium tetracarbonylferrate; Yield given. Multistep reaction; 1.) THF, 1 h, 2.) 25 deg C, 12 h;

DOI:10.1021/jo00070a042

upstream raw materials:

dimethyl 4-cyano-4-phenylheptanedioate

phenylacetonitrile

acrylic acid methyl ester

Downstream raw materials:

4-cyano-4-phenyl-heptanedioic acid

4-cyano-4-phenylcyclohexanone

cis-4-hydroxy-1-phenylcyclohexanecarbonitrile

1-phenyl-4-cyclohexanone

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