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

Base Information

• Chemical Name: 4-cyano-4-(2,4,5-trifluorophenyl)heptanedioic acid dimethyl ester
• CAS No.: 1037235-11-2
• Molecular Formula: C₁₆H₁₆F₃NO₄
• Molecular Weight: 343.303
• Mol file: 1037235-11-2.mol

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

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

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

There total 1 articles about 4-cyano-4-(2,4,5-trifluorophenyl)heptanedioic acid dimethyl 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:

2-(2,4,5-trifluorophenyl)acetonitrile (220141-74-2) + acrylic acid methyl ester (292638-85-8,9003-21-8,96-33-3) → 4-cyano-4-(2,4,5-trifluorophenyl)heptanedioic acid dimethyl ester (1037235-11-2)

Guidance literature:

N-benzyl-trimethylammonium hydroxide; In methanol; tert-butyl alcohol; for 5h; Heating / reflux;

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:

4-cyano-4-(2,4,5-trifluorophenyl)heptanedioic acid dimethyl ester (1037235-11-2) → 4-oxo-1-(2,4,5-trifluorophenyl)-cyclohexanecarbonitrile (1037235-15-6)

Guidance literature:

Multi-step reaction with 2 steps

1: potassium tert-butylate / tetrahydrofuran / Reflux

2: sulfuric acid / water; acetic acid / 110 °C

With sulfuric acid; potassium tert-butylate; In tetrahydrofuran; water; acetic acid; 1: |Dieckmann Condensation;

DOI:10.1016/j.bmcl.2013.12.118

upstream raw materials:

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

acrylic acid methyl ester

Downstream raw materials:

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

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

C₁₃H₁₂F₃NO

Refernces

• 1、 -. "1-AMINOMETHYL- L- PHENYL- CYCLOHEXANE DERIVATIVES AS DDP-IV INHIBITORS". Page/Page column 155; 156. . Retrieved 2008/12/06.