Cyclohexaneacetic acid, 1,1-dimethylethyl ester

Base Information

• Chemical Name: Cyclohexaneacetic acid, 1,1-dimethylethyl ester
• CAS No.: 16537-06-7
• Molecular Formula: C12H22O2
• Molecular Weight: 198.305
• Mol file: 16537-06-7.mol

Synonyms:tert-Butyl cyclohexylacetate;Cyclohexylessigsaeure-tert.-butylester;Cyclohexyl-acetic acid tert-butyl ester;

Chemical Property of Cyclohexaneacetic acid, 1,1-dimethylethyl ester

Chemical Property:

• PSA: 26.30000
• LogP: 3.29850

Purity/Quality:

98%min ^*data from raw suppliers

tert-butyl2-cyclohexylacetate 95 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of Cyclohexaneacetic acid, 1,1-dimethylethyl ester

There total 4 articles about Cyclohexaneacetic acid, 1,1-dimethylethyl 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: 93.0%

cyclohexylmethyl iodide (5469-33-0) + carbon monoxide (201230-82-2) + sodium t-butanolate (865-48-5) → cyclohexyl-acetic acid tert-butyl ester (16537-06-7)

Guidance literature:

With hydrogen; copper(l) cyanide; tris(pentafluorophenyl)phosphine; In cyclohexane; at 100 ℃; for 20h; under 22502.3 Torr; Autoclave;

DOI:10.1021/acs.orglett.1c03071

Reference yield:

(tert-Butoxycarbonylmethylene)triphenylphosphorane (86302-43-4,35000-38-5) + cyclohexanol (108-93-0) → tert-butyl cyclohexylideneacetate (53138-75-3) + cyclohexyl-acetic acid tert-butyl ester (16537-06-7)

Guidance literature:

With potassium tert-butylate; C₁₆H₃₅BrMnN₃O₂P₂; In 1,4-dioxane; at 140 ℃; for 30h; Inert atmosphere;

DOI:10.1002/adsc.202001209

Reference yield:

(E)-8-Iodo-oct-2-enoic acid tert-butyl ester (88931-74-2) → cyclohexyl-acetic acid tert-butyl ester (16537-06-7) + 3-Butyl-8-iodo-octanoic acid tert-butyl ester (88931-85-5)

Guidance literature:

Yield given. Multistep reaction; 1.) n-BuLi, THF, -100 deg C, 2.) EtOH;

DOI:10.1021/jo00180a043

upstream raw materials:

cyclohexane

t-butyl diazoacetate

(E)-8-Iodo-oct-2-enoic acid tert-butyl ester

(tert-Butoxycarbonylmethylene)triphenylphosphorane

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