4α-tert-Butylcyclohexane-1α-carboxylic acid ethyl ester

Base Information

• Chemical Name: 4α-tert-Butylcyclohexane-1α-carboxylic acid ethyl ester
• CAS No.: 7214-36-0
• Molecular Formula: C13H24O2
• Molecular Weight: 212.332
• Mol file: 7214-36-0.mol

Synonyms:cis-4-tert.Butyl-cyclohexan-carbonsaeure-1-aethylester;cis-4-tert.-Butyl-cyclohexan-carbonsaeure-aethylester;cis-1-t-Butyl-cyclohexan-carbonsaeure-4-aethylester;4-tert-Butyl-cyclohexanecarboxylic acid ethyl ester;cis-4-tert-Butyl-hexahydrobenzoesaeure-aethylester;cis-4-tert.Butyl-cyclohexan-carbonsaeure-aethylester;cis-4-tert-Butyl-cyclohexancarbonsaeure-ethylester;

Chemical Property of 4α-tert-Butylcyclohexane-1α-carboxylic acid ethyl ester

Chemical Property:

• Boiling Point: 239.6±8.0 °C(Predicted)
• PSA: 26.30000
• Density: 0.936±0.06 g/cm3(Predicted)
• LogP: 3.40200

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of 4α-tert-Butylcyclohexane-1α-carboxylic acid ethyl ester

There total 6 articles about 4α-tert-Butylcyclohexane-1α-carboxylic 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:

4-(1,1-dimethylethyl)benzoic acid (98-73-7) → Ethyl cis-4-tert-butylcyclohexanecarboxylate (7214-36-0)

Guidance literature:

Multi-step reaction with 2 steps

1: hydrogen / 5percent rhodium-alumina

With hydrogen; rhodium on alumina;

DOI:10.1039/P29860001337

Reference yield:

4-tert-butylcyclohexanecarboxylic acid (5451-55-8) → Ethyl cis-4-tert-butylcyclohexanecarboxylate (7214-36-0)

Guidance literature:

Multi-step reaction with 3 steps

1: 88.68 percent / conc H₂SO₄ / benzene / Heating

2: n-BuLi, diisopropylamine

3: LiCl, H₂O / dimethylsulfoxide / 3.5 h / 184 - 185 °C

With n-butyllithium; sulfuric acid; water; diisopropylamine; lithium chloride; In dimethyl sulfoxide; benzene;

DOI:10.1021/jo01309a007

Reference yield:

ethyl 4-tert-butylcyclohexane-1-carboxylate (63767-85-1) → Ethyl cis-4-tert-butylcyclohexanecarboxylate (7214-36-0)

Guidance literature:

Multi-step reaction with 2 steps

1: n-BuLi, diisopropylamine

2: LiCl, H₂O / dimethylsulfoxide / 3.5 h / 184 - 185 °C

With n-butyllithium; water; diisopropylamine; lithium chloride; In dimethyl sulfoxide;

DOI:10.1021/jo01309a007

upstream raw materials:

ethanol

cis-4-t-butylcyclohexanecarboxylic acid

4-(1,1-dimethylethyl)benzoic acid

4-tert-butylcyclohexanecarboxylic acid

Downstream raw materials:

trans-(4-tert-butyl-cyclohexyl)-methanol

trans-4-t-butylcyclohexylmethyl bromide

Refernces

• 1、 Ingold, Keith U.,Walton, John C.. "Cycloalkylmethyl Radicals. Part 3. Dynamic Stereochemistry of Axial and Equatorial Cyclohexylmethyl and 4-Alkylcyclohexylmethyl Radicals". . p. 1337 - 1344. Retrieved 2007/10/02.