4-tert-Butylcyclohexanecarboxylic acid

ALDRICH/374938 - 99%

CAS Number: 5451-55-8
Empirical Formula (Hill Notation): C₁₁H₂₀O₂
Molecular Weight: 184.28
MDL Number: MFCD00042622
Linear Formula: (CH₃)₃CC₆H₁₀CO₂H
Product Type: Chemical

Catalog Number	PKG Qty.	Price	Quantity


45-374938-5G	5 g	$40.00 1/EA		Add To Favorites

Properties
Descriptions
Safety Info.
Basic Data

assay	99%
form	solid
functional group	carboxylic acid
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
mp	148 °C (lit.)
Quality Level	100
SMILES string	CC(C)(C)C1CCC(CC1)C(O)=O

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.
Packaging:	5 g in glass bottle

RIDADR	NONH for all modes of transport
WGK Germany	WGK 3
Flash Point(F)	Not applicable
Flash Point(C)	Not applicable

Purity	99%
mp	148 °C (lit.)
UNSPSC	12352100

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