5451-55-8

Basic information

• Product Name: 4-TERT-BUTYLCYCLOHEXANECARBOXYLIC ACID
• Synonyms: 4-TERT-BUTYLCYCLOHEXANECARBOXYLIC ACID;4-(1,1-DIMETHYLETHYL)CYCLOHEXANECARBOXYLIC ACID;4-TERT-BUTYLCYCLOHEXANECARBOXYLIC ACID, 99%, MIXTURE OF CIS AND TRANS;4-TERT-BUTYLCYCLOHEXANECARBOXYLIC ACID (CIS+TRANS);4-tert-butylcyclohexanecarboxylic acid, predominantly trans;4-TERT-BUTYLCYCLOHEXANECARBOXYLIC ACID (CIS- AND TRANS- MIXTURE);4-tert-Butylcyclohexanecarboxylic acid, predominantly trans, 98+%;4-tert-Butylcyclohexanecarboxylic acid, cis/trans mixture (45/55),99%
• CAS NO: 5451-55-8
• Molecular Formula: C₁₁H₂₀O₂
• Molecular Weight: 184.28
• Product Categories: 4-Substituted Cyclohexanecarboxylic Acids;C11 to C12;Carbonyl Compounds;Carboxylic Acids
• Mol File: 5451-55-8.mol
• Article Data: 3

Chemical Properties

• Melting Point: 148 °C(lit.)
• Boiling Point: 282.9 ºC at 760 mmHg
• Flash Point: 136.7 ºC
• Appearance: /
• Density: 0.996 g/cm³
• Vapor Pressure: 0.000852mmHg at 25°C
• Refractive Index: 1.473
• Storage Temp.: Store below +30°C.
• Solubility: soluble in Methanol
• PKA: 4.92±0.10(Predicted)
• BRN: 2043187
• CAS DataBase Reference: 4-TERT-BUTYLCYCLOHEXANECARBOXYLIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 4-TERT-BUTYLCYCLOHEXANECARBOXYLIC ACID(5451-55-8)
• EPA Substance Registry System: 4-TERT-BUTYLCYCLOHEXANECARBOXYLIC ACID(5451-55-8)

Safety Data

• Statements: 36/37/38
• Safety Statements: 26-36/37/39
• WGK Germany: 3
• Hazardous Substances Data: 5451-55-8(Hazardous Substances Data)

Usage

Chemical Properties

WHITE FINE CRYSTALS OR CRYSTALLINE POWDER

Uses

Different sources of media describe the Uses of 5451-55-8 differently. You can refer to the following data:
1. 4-tert-Butylcyclohexanecarboxylic acid may be used in the preparation of N-((S)-3-(4-(7-chloroquinolin-4-yl)piperazin-1-yl)-1-henylpropyl)-4-tert-butylcyclohexanecarboxamide.
2. 4-tert-Butylcyclohexanecarboxylic Acid has been used as a reactant in the synthesis of cycloalkylamide derivatives as inhibitors of soluble epoxide hydrolase.

General Description

delta pKa between the two stereoisomers of 4-tert-butylcyclohexanecarboxylic acid has been studied using 1H and 13C NMR. Preparation of cis- and trans-4-tert- butylcyclohexanecarboxylic acid has been reported.

InChI:InChI=1/C11H20O2/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h8-9H,4-7H2,1-3H3,(H,12,13)

Upstream product

• 201230-82-2 carbon monoxide 
• 2228-98-0 4-tert-butylcylohexene 
• 98-73-7 4-(1,1-dimethylethyl)benzoic acid 

Downstream Products

• 17177-75-2 methyl ester of trans-4-tert-butylcyclohexanecarboxylic acid 
• 17177-76-3 methyl esters of cis-4-tert-butylcyclohexanecarboxylic acid 
• 28112-56-3 trans-(4-tert-Butylcyclohexyl)phenylketon 
• 18525-42-3 cis-(4-tert-Butylcyclohexyl)phenylketon 
• 169822-48-4 4-tert-Butyl-1-(9-hydroxy-3,3-dimethyl-1,5-dioxa-spiro[5.5]undec-9-yl)-cyclohexanecarboxylic acid 
• 1115245-63-0 N-((S)-3-(4-(7-chloroquinolin-4-yl)piperazin-1-yl)-1-phenylpropyl)-4-tert-butylcyclohexanecarboxamide 
• 1187580-17-1 TPI-1346-236 
• 1187580-11-5 C₄₃H₆₅N₅ 
• 1187580-15-9 C₄₅H₆₁N₅S₂ 
• 1187580-20-6 C₄₇H₆₁N₅O₄ 
• 1187580-22-8 TPI-1345-236 

Relevant articles and documents

Study on the enolization of alkyl of cis and trans 2-tert-5-X-1,3-dioxanes (X =CO2CH3, CHO, COPh, NO2, and CN). Evidence for stereoelectronic control.

Alkylation ot 2-tert-butyl-5-X-1,3-dioxanes (X = CO2CH3,COPh and NO2) was studied.Products resulting from an equatorial approach of the alkylating agent are preferentially formed when X = CO2CH3 and NO2.Also, the cis isomers that have an equatorial hydrog

Stereochemistry of Decarbalkoxylation of Cyclic Geminal Diesters Effected by Water and Lithium Chloride in Me2SO

The stereochemical consequences of the decarbalkoxylation of cyclic geminal diesters by LiCl-H2O-Me2SO have been examined.The norbornene diester 13 and the norbornane diester 16 lead predominantly to the exoesters 14 and 17, respectively.The 2-methylcyclohexane diester 22 leads to esters containing more cis (23) than trans (24) isomer.The diesters 19,25, and 28 lead to nearly equal amounts of the cis and trans esters.In these latter cases,the enolates generated from the esters (via LDA) are protonated in a nonstereoselective fashion on quenching with water.This is suggestive of an enolate intermediate in the decarbalkoxylation reaction.The implications of these sterochemical results are discussed.