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374938

4-tert-Butylcyclohexanecarboxylic acid

99%

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About This Item

Linear Formula:
(CH3)3CC6H10CO2H
CAS Number:
5451-55-8
Molecular Weight:
184.28
PubChem Substance ID:
24863350
UNSPSC Code:
12352100
NACRES:
NA.22
EC Index Number:
611-163-8
Beilstein/REAXYS Number:
2043187
MDL number:
MFCD00042622
Assay:
99%
Form:
solid
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Quality Segment

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

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

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

Eyeshields, Gloves, type N95 (US)

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