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About This Item
Linear Formula:
(CH3)3CC6H10CO2H
CAS Number:
Molecular Weight:
184.28
Beilstein/REAXYS Number:
2043187
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
EC Index Number:
611-163-8
NACRES:
NA.22
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Quality Level
assay
99%
form
solid
mp
148 °C (lit.)
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
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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.
Storage Class
11 - Combustible Solids
wgk_germany
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Gloves, type N95 (US)
Certificates of Analysis (COA)
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Conformational analysis. LXXV. Methylation rates of cis-and trans-4-tert-butyl-N, N-dimethylcyclohexylamines.
Allinger NL and Graham JC.
The Journal of Organic Chemistry, 36(12), 1688-1690 (1971)
Yanqing Liu et al.
Molecules (Basel, Switzerland), 13(10), 2426-2441 (2008-10-03)
CCR5, as the major co-receptor for HIV-1 entry, is an attractive novel target for the pharmaceutical industry in the HIV-1 therapeutic area. In this study, based on the structures of maraviroc and 1,4-bis(4-(7-chloroquinolin-4-yl)piperazin-1-yl)butane-1,4-dione (1), which was identified using structure-based virtual
C L Perrin et al.
Analytical chemistry, 68(13), 2127-2134 (1996-07-01)
An NMR titration method has been developed to simultaneously measure the difference in acid dissociation constants (delta pKa) of two or more compounds with high precision and accuracy. The delta pKa between the conjugate acids of the two stereoisomers of
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