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About This Item
线性分子式:
(CH3)3CC6H10CO2H
CAS号:
分子量:
184.28
Beilstein:
2043187
MDL號碼:
分類程式碼代碼:
12352100
PubChem物質ID:
酶委員會索引編號:
611-163-8
NACRES:
NA.22
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品質等級
化驗
99%
形狀
solid
mp
148 °C (lit.)
官能基
carboxylic acid
SMILES 字串
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 密鑰
QVQKEGYITJBHRQ-UHFFFAOYSA-N
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一般說明
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.
應用
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.
儲存類別代碼
11 - Combustible Solids
水污染物質分類（WGK）
WGK 3
閃點（°F）
Not applicable
閃點（°C）
Not applicable
個人防護裝備
Eyeshields, Gloves, type N95 (US)
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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