CIS-4-TERT-BUTYLCYCLOHEXANECARBOXYLIC ACID

Base Information

• Chemical Name: CIS-4-TERT-BUTYLCYCLOHEXANECARBOXYLIC ACID
• CAS No.: 943-28-2
• Molecular Formula: C11H20 O2
• Molecular Weight: 184.279
• Hs Code.: 2916209090
• Mol file: 943-28-2.mol

Synonyms:Cyclohexanecarboxylicacid, 4-tert-butyl-, cis- (8CI); cis-4-tert-Butylcyclohexane-1-carboxylic acid;cis-4-tert-Butylcyclohexanecarboxylic acid; cis-4-tert-Butylcyclohexanoic acid

Chemical Property of CIS-4-TERT-BUTYLCYCLOHEXANECARBOXYLIC ACID

Chemical Property:

• Melting Point: 117 °C
• Boiling Point: 282.9±8.0 °C(Predicted)
• PKA: 5.03±0.25(Predicted)
• PSA: 37.30000
• Density: 0.996±0.06 g/cm3(Predicted)
• LogP: 2.92350

Purity/Quality:

98%,99%, ^*data from raw suppliers

cis-4-tert-Butylcyclohexanecarboxylic Acid >98.0%(GC)(T) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of CIS-4-TERT-BUTYLCYCLOHEXANECARBOXYLIC ACID

There total 7 articles about CIS-4-TERT-BUTYLCYCLOHEXANECARBOXYLIC ACID 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) → trans-4-(tert-butyl)cyclohexane-1-carboxylic acid (943-29-3) + cis-4-t-butylcyclohexanecarboxylic acid (943-28-2)

Guidance literature:

With sodium hydroxide; nickel; Hydrogenation;

DOI:10.1021/ja01530a064

Reference yield:

4-tert-butylcyclohexanecarboxylic acid (5451-55-8) → trans-4-(tert-butyl)cyclohexane-1-carboxylic acid (943-29-3) + cis-4-t-butylcyclohexanecarboxylic acid (943-28-2)

Guidance literature:

In tert-butylmethylether; 2-Methylpentane; acetic acid; at 25 ℃; Purification / work up; Resolution of racemate;

Reference yield:

carbon monoxide (201230-82-2) + tert-butylcyclohexane (3178-22-1) → trans-4-(tert-butyl)cyclohexane-1-carboxylic acid (943-29-3) + cis-4-t-butylcyclohexanecarboxylic acid (943-28-2) + (+/-)-cis-3-tert-butyl-cyclohexanecarboxylic acid (13032-38-7,27392-17-2,27392-18-3,114297-16-4,114297-18-6) + (+/-)-trans-3-tert-butyl-cyclohexanecarboxylic acid (13032-38-7,27392-17-2,27392-18-3,114297-16-4,114297-18-6)

Guidance literature:

With dipotassium peroxodisulfate; trifluoroacetic acid; palladium diacetate; at 80 ℃;

DOI:10.1246/cl.1991.1433

upstream raw materials:

4-(1,1-dimethylethyl)benzoic acid

carbon monoxide

tert-butylcyclohexane

methyl 4-tert-butyl-cyclohexanecarboxylate

Downstream raw materials:

N-(cis-4-tert-butyl-cyclohexanecarbonyl)-N,N'-dicyclohexyl-urea

methyl esters of cis-4-tert-butylcyclohexanecarboxylic acid

trans-4-(tert-butyl)cyclohexane-1-carboxylic acid

cis-4-tert-butyl-cyclohexanecarboxylic acid-(cis-4-tert-butyl-cyclohexyl ester)

Refernces

• 1、 Atobe, Mahito,Fukazawa, Atsushi,Shida, Naoki,Shimizu, Yugo. "Electrocatalytic hydrogenation of benzoic acids in a proton-exchange membrane reactor". supporting information. p. 7363 - 7368. Retrieved 2021/09/08.
• 2、 Koenigsberger, Kurt,Luna, Hector,Prasad, Kapa,Repic, Oljan,Blacklock, Thomas J.. "Separation of cis/trans-cyclohexanecarboxylates by enzymatic hydrolysis: Preference for diequatorial isomers". . p. 9029 - 9032. Retrieved 2007/10/03.