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4-TERT-BUTYLCYCLOHEXANECARBOXYLIC ACID is an organic compound that exists in two stereoisomeric forms. It is characterized by its white, fine crystalline structure and has been studied for its delta pKa between the stereoisomers using 1H and 13C NMR. The preparation of both cisand trans-4-tert-butylcyclohexanecarboxylic acid has been reported.

5451-55-8

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5451-55-8 Usage

Uses

Used in Pharmaceutical Industry:
4-TERT-BUTYLCYCLOHEXANECARBOXYLIC ACID is used as a reactant for the preparation of N-((S)-3-(4-(7-chloroquinolin-4-yl)piperazin-1-yl)-1-henylpropyl)-4-tert-butylcyclohexanecarboxamide, which is a compound with potential pharmaceutical applications.
Used in Enzyme Inhibition:
In the field of biochemistry and drug development, 4-TERT-BUTYLCYCLOHEXANECARBOXYLIC ACID is used as a reactant in the synthesis of cycloalkylamide derivatives. These derivatives serve as inhibitors of soluble epoxide hydrolase, an enzyme that plays a role in various biological processes and diseases. By inhibiting this enzyme, the cycloalkylamide derivatives may have therapeutic potential in treating conditions related to the dysregulation of soluble epoxide hydrolase.

Check Digit Verification of cas no

The CAS Registry Mumber 5451-55-8 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 5,4,5 and 1 respectively; the second part has 2 digits, 5 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 5451-55:
(6*5)+(5*4)+(4*5)+(3*1)+(2*5)+(1*5)=88
88 % 10 = 8
So 5451-55-8 is a valid CAS Registry Number.
InChI:InChI=1/C11H20O2/c1-11(2,3)9-6-4-8(5-7-9)10(12)13/h8-9H,4-7H2,1-3H3,(H,12,13)

5451-55-8 Well-known Company Product Price

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  • Alfa Aesar

  • (L08248)  4-tert-Butylcyclohexanecarboxylic acid, predominantly trans, 98+%   

  • 5451-55-8

  • 5g

  • 495.0CNY

  • Detail
  • Alfa Aesar

  • (L08248)  4-tert-Butylcyclohexanecarboxylic acid, predominantly trans, 98+%   

  • 5451-55-8

  • 25g

  • 1656.0CNY

  • Detail

5451-55-8SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name 4-TERT-BUTYLCYCLOHEXANECARBOXYLIC ACID

1.2 Other means of identification

Product number -
Other names 4-tert-butylcyclohexane-1-carboxylic acid

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:5451-55-8 SDS

5451-55-8Relevant academic research and scientific papers

Study on the enolization of alkyl of cis and trans 2-tert-5-X-1,3-dioxanes (X =CO2CH3, CHO, COPh, NO2, and CN). Evidence for stereoelectronic control.

Nbidwami, Alexis,Deslongchamps, Pierre

, p. 1788 - 1794 (2007/10/02)

Alkylation ot 2-tert-butyl-5-X-1,3-dioxanes (X = CO2CH3,COPh and NO2) was studied.Products resulting from an equatorial approach of the alkylating agent are preferentially formed when X = CO2CH3 and NO2.Also, the cis isomers that have an equatorial hydrog

The Stereochemistry of Organometallic Compounds. XXII The Stereochemistry of Metal-Catalysed Hydrogen Cyanide Addition to Olefins

Jackson, W. Roy,Lovel, Craig G.

, p. 2053 - 2067 (2007/10/02)

Reactions of (E)-3,3-dimethyl(1,2-D2)but-1-ene with hydrogen cyanide and of (E)-3,3-dimethyl(1-D)but-1-ene with deuterium cyanide have been shown to proceed in a completely stereospecific cis fashion when a catalyst system based on Pd(diop)2 was used.Reaction between 4-t-butylcyclohexene and deuterium cyanide with the catalyst system gave only the equatorial nitriles trans-4-t-butylcyclohexane-1-carbonitrile and cis-3-t-butylcyclohexane-1-carbonitrile with cis incorporation of deuterium.Use of a catalyst system based on Ni4 and zinc chloride led to significant amounts of isotopic exchange and rearrangement.These results are compared with those from hydroformylation of the olefins, and the mechanism of hydrocyanation is discussed

Stereochemistry of Decarbalkoxylation of Cyclic Geminal Diesters Effected by Water and Lithium Chloride in Me2SO

Krapcho, A. Paul,Weimaster, John F.

, p. 4105 - 4111 (2007/10/02)

The stereochemical consequences of the decarbalkoxylation of cyclic geminal diesters by LiCl-H2O-Me2SO have been examined.The norbornene diester 13 and the norbornane diester 16 lead predominantly to the exoesters 14 and 17, respectively.The 2-methylcyclohexane diester 22 leads to esters containing more cis (23) than trans (24) isomer.The diesters 19,25, and 28 lead to nearly equal amounts of the cis and trans esters.In these latter cases,the enolates generated from the esters (via LDA) are protonated in a nonstereoselective fashion on quenching with water.This is suggestive of an enolate intermediate in the decarbalkoxylation reaction.The implications of these sterochemical results are discussed.

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