374938

4-tert-Butylcyclohexanecarboxylic acid

99%

• Linear Formula: (CH₃)₃CC₆H₁₀CO₂H
• CAS Number: 5451-55-8
• Molecular Weight: 184.28
• Beilstein: 2043187
• MDL number: MFCD00042622
• UNSPSC Code: 12352100
• PubChem Substance ID: 24863350
• EC Index Number: 611-163-8
• NACRES: NA.22

Properties

• Quality Level: 100
• Assay: 99%
• form: solid
• mp: 148 °C (lit.)
• functional group: carboxylic acid
• SMILES string: CC(C)(C)C1CCC(CC1)C(O)=O
• InChI: 1S/C11H20O2/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h8-9H,4-7H2,1-3H3,(H,12,13)
• InChI key: QVQKEGYITJBHRQ-UHFFFAOYSA-N

Description

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.

Application

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.

Safety Information

• Storage Class Code: 11 - Combustible Solids
• WGK: WGK 3
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves