4-PHENYL-CYCLOHEXANEACETIC ACID ETHYL ESTER

Base Information

• Chemical Name: 4-PHENYL-CYCLOHEXANEACETIC ACID ETHYL ESTER
• CAS No.: 411238-92-1
• Molecular Formula: C16H22O2
• Molecular Weight: 246.349
• Hs Code.: 2916399090
• Mol file: 411238-92-1.mol

Synonyms:Cyclohexaneacetic acid,4-phenyl-,ethyl ester;Y5861;Ethyl 2-((1R,4R)-4-phenylcyclohexyl)acetate;(4-Phenyl-cyclohexyl)-acetic acid ethyl ester;ethyl-2-(4-phenylcyclohexyl)acetate;

Chemical Property of 4-PHENYL-CYCLOHEXANEACETIC ACID ETHYL ESTER

Chemical Property:

• Vapor Pressure: 9.51E-05mmHg at 25°C
• Boiling Point: 338.9oC at 760 mmHg
• Flash Point: 123.3oC
• PSA: 26.30000
• Density: 1.006g/cm3
• LogP: 3.91360

Purity/Quality:

≥95% ^*data from raw suppliers

Ethyl2-(4-phenylcyclohexyl)acetate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: Ethyl 4-Phenylcyclohexaneacetate can be used as immunoregulatory agents.

Technology Process of 4-PHENYL-CYCLOHEXANEACETIC ACID ETHYL ESTER

There total 3 articles about 4-PHENYL-CYCLOHEXANEACETIC ACID ETHYL 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: 99.0%

ethyl 2-(4-phenylcyclohexylidene)acetate (115880-04-1) → ethyl 2-(4-phenylcyclohexyl)acetate (411238-92-1)

Guidance literature:

With 5%-palladium/activated carbon; hydrogen; In methanol;

Reference yield:

1-phenyl-4-cyclohexanone (4894-75-1) → ethyl 2-(4-phenylcyclohexyl)acetate (411238-92-1)

Guidance literature:

Multi-step reaction with 2 steps

1.1: sodium hydride / tetrahydrofuran; mineral oil / 0.5 h / 0 - 20 °C

1.2: 4 h / 0 °C

2.1: palladium 10% on activated carbon; hydrogen / ethanol / 18 h / 20 °C

With palladium 10% on activated carbon; hydrogen; sodium hydride; In tetrahydrofuran; ethanol; mineral oil; 1.1: |Horner-Wadsworth-Emmons Olefination - Still-Gennari Modification / 1.2: |Horner-Wadsworth-Emmons Olefination;

DOI:10.1016/j.bmcl.2013.05.081

Reference yield:

4-cyclohexylcyclohexanone (92-68-2) → ethyl 2-(4-phenylcyclohexyl)acetate (411238-92-1)

Guidance literature:

Multi-step reaction with 2 steps

1.1: sodium t-butanolate / tetrahydrofuran / 2 h / 0 °C

1.2: 1.5 h / 20 °C

2.1: (triphenylphosphine)copper(I) hydride hexamer / toluene; tert-butyl alcohol / 15 h / 20 °C / Inert atmosphere

With (triphenylphosphine)copper(I) hydride hexamer; sodium t-butanolate; In tetrahydrofuran; toluene; tert-butyl alcohol; 1.1: |Horner-Wadsworth-Emmons Olefination / 1.2: |Horner-Wadsworth-Emmons Olefination;

upstream raw materials:

ethyl 2-(4-phenylcyclohexylidene)acetate

1-phenyl-4-cyclohexanone

4-cyclohexylcyclohexanone

Downstream raw materials:

C₂₆H₂₅N₃O₄

C₃₄H₃₁N₃O₃

C₃₀H₂₇N₃O₃S

C₃₀H₂₇N₃O₄