Cyclohexanecarboxylic acid, 4-(1,1-dimethylethyl)-, ethyl ester

Base Information

• Chemical Name: Cyclohexanecarboxylic acid, 4-(1,1-dimethylethyl)-, ethyl ester
• CAS No.: 63767-85-1
• Molecular Formula: C13H24O2
• Molecular Weight: 212.32800
• Mol file: 63767-85-1.mol

Synonyms:

Chemical Property of Cyclohexanecarboxylic acid, 4-(1,1-dimethylethyl)-, ethyl ester

Chemical Property:

• PSA: 26.30000
• LogP: 3.40200

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Cyclohexanecarboxylic acid, 4-(1,1-dimethylethyl)-, ethyl ester

There total 3 articles about Cyclohexanecarboxylic acid, 4-(1,1-dimethylethyl)-, 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: 88.68%

ethanol (64-17-5) + 4-tert-butylcyclohexanecarboxylic acid (5451-55-8) → ethyl 4-tert-butylcyclohexane-1-carboxylate (63767-85-1)

Guidance literature:

With sulfuric acid; In benzene; Heating;

DOI:10.1021/jo01309a007

Reference yield:

4-(1,1-dimethylethyl)benzoic acid (98-73-7) → ethyl 4-tert-butylcyclohexane-1-carboxylate (63767-85-1)

Guidance literature:

Multi-step reaction with 2 steps

1: 95 percent / Hydrogen / PtO₂ / acetic acid

2: 88.68 percent / conc H₂SO₄ / benzene / Heating

With sulfuric acid; hydrogen; platinum(IV) oxide; In acetic acid; benzene;

DOI:10.1021/jo01309a007

Reference yield:

4-tert-butylcyclohexanecarboxylic acid (5451-55-8) → ethyl 4-tert-butylcyclohexane-1-carboxylate (63767-85-1)

Guidance literature:

Multi-step reaction with 2 steps

1: SOCl₂ / 1.) RT, 15 min, 2.) reflux, 15 min

2: pyridine / 0.5 h / Heating

With pyridine; thionyl chloride;

DOI:10.1021/jo00321a049

upstream raw materials:

ethanol

4-tert-butylcyclohexanecarboxylic acid

4-(1,1-dimethylethyl)benzoic acid

Downstream raw materials:

Diethyl 4-tert-Butyl-1,1-cyclohexanedicarboxylate

ethyl 1-allyl-4-t-butylcyclohexylcarboxylate

ethyl 4-tert-butyl-1-(4-fluorophenyl)cyclohexanecarboxylate

Ethyl cis-4-tert-butylcyclohexanecarboxylate

Refernces

• 1、 Krapcho, A. Paul,Weimaster, John F.. "Stereochemistry of Decarbalkoxylation of Cyclic Geminal Diesters Effected by Water and Lithium Chloride in Me2SO". . p. 4105 - 4111. Retrieved 2007/10/02.