5-cyano-2-oxo-5-(2,4,5-trifluorophenyl)cyclohexanecarboxylic acid methyl ester

Base Information

• Chemical Name: 5-cyano-2-oxo-5-(2,4,5-trifluorophenyl)cyclohexanecarboxylic acid methyl ester
• CAS No.: 1037235-13-4
• Molecular Formula: C₁₅H₁₂F₃NO₃
• Molecular Weight: 311.26
• Mol file: 1037235-13-4.mol

Synonyms:5-cyano-2-oxo-5-(2,4,5-trifluorophenyl)cyclohexanecarboxylic acid methyl ester

Chemical Property of 5-cyano-2-oxo-5-(2,4,5-trifluorophenyl)cyclohexanecarboxylic acid methyl ester

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 5-cyano-2-oxo-5-(2,4,5-trifluorophenyl)cyclohexanecarboxylic acid methyl ester

There total 2 articles about 5-cyano-2-oxo-5-(2,4,5-trifluorophenyl)cyclohexanecarboxylic acid 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:

4-cyano-4-(2,4,5-trifluorophenyl)heptanedioic acid dimethyl ester (1037235-11-2) → 5-cyano-2-oxo-5-(2,4,5-trifluorophenyl)cyclohexanecarboxylic acid methyl ester (1037235-13-4)

Guidance literature:

4-cyano-4-(2,4,5-trifluorophenyl)heptanedioic acid dimethyl ester; With 1,2,4,5-Tetrafluorobenzene; potassium tert-butylate; In tetrahydrofuran; Heating / reflux;

With acetic acid; In tetrahydrofuran; water; at 20 ℃;

Reference yield:

2-(2,4,5-trifluorophenyl)acetonitrile (220141-74-2) → 5-cyano-2-oxo-5-(2,4,5-trifluorophenyl)cyclohexanecarboxylic acid methyl ester (1037235-13-4)

Guidance literature:

Multi-step reaction with 2 steps

1: triton B / methanol; tert-butyl alcohol / 5 h / Reflux

2: potassium tert-butylate / tetrahydrofuran / Reflux

With potassium tert-butylate; In tetrahydrofuran; methanol; tert-butyl alcohol; 1: |Michael Addition / 2: |Dieckmann Condensation;

DOI:10.1016/j.bmcl.2013.12.118

Reference yield:

5-cyano-2-oxo-5-(2,4,5-trifluorophenyl)cyclohexanecarboxylic acid methyl ester (1037235-13-4) → 4-oxo-1-(2,4,5-trifluorophenyl)-cyclohexanecarbonitrile (1037235-15-6)

Guidance literature:

With sulfuric acid; water; In acetic acid; at 110 ℃;

upstream raw materials:

4-cyano-4-(2,4,5-trifluorophenyl)heptanedioic acid dimethyl ester

2-(2,4,5-trifluorophenyl)acetonitrile

Downstream raw materials:

4-oxo-1-(2,4,5-trifluorophenyl)-cyclohexanecarbonitrile

C₁₃H₁₂F₃NO