374938
4-叔丁基环己基甲酸
99%
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关于此项目
线性分子式:
(CH3)3CC6H10CO2H
化学文摘社编号:
分子量:
184.28
PubChem Substance ID:
UNSPSC Code:
12352100
NACRES:
NA.22
EC Index Number:
611-163-8
Beilstein/REAXYS Number:
2043187
MDL number:
产品名称
4-叔丁基环己基甲酸, 99%
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)
SMILES string
CC(C)(C)C1CCC(CC1)C(O)=O
InChI key
QVQKEGYITJBHRQ-UHFFFAOYSA-N
assay
99%
form
solid
mp
148 °C (lit.)
functional group
carboxylic acid
Quality Level
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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.
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.
存储类别
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Gloves, type N95 (US)
法规信息
新产品
此项目有
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
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
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)
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