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2,5-Cyclohexadiene-1-carboxylic acid, 1-(1-methylethyl)- is a chemical with a specific purpose. Lookchem provides you with multiple data and supplier information of this chemical.

31689-39-1

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31689-39-1 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 31689-39-1 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 3,1,6,8 and 9 respectively; the second part has 2 digits, 3 and 9 respectively.
Calculate Digit Verification of CAS Registry Number 31689-39:
(7*3)+(6*1)+(5*6)+(4*8)+(3*9)+(2*3)+(1*9)=131
131 % 10 = 1
So 31689-39-1 is a valid CAS Registry Number.

31689-39-1SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 16, 2017

Revision Date: Aug 16, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-isopropylcyclohexa-2,5-diene-1-carboxylic acid

1.2 Other means of identification

Product number -
Other names 3-Isopropylcyclohexa-1,4-diene-3-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:31689-39-1 SDS

31689-39-1Relevant academic research and scientific papers

Palladium-Catalyzed Decarboxylative γ-Olefination of 2,5-Cyclohexadiene-1-carboxylic Acid Derivatives with Vinyl Halides

Chang, Chi-Hao,Chou, Chih-Ming

, p. 1949 - 1952 (2018)

This study explores a Pd-catalyzed decarboxylative Heck-type Csp3-Csp2 coupling reaction of 2,5-cyclohexadiene-1-carboxylic acid derivatives with vinyl halides to provide γ-olefination products. The olefinated 1,3-cyclohexadienes can be further oxidized to produce meta-alkylated stilbene derivatives. Additionally, the conjugated diene products can also undergo a Diels-Alder reaction to produce a bicyclo[2.2.2]octadiene framework.

Catalytic Enantioselective Birch–Heck Sequence for the Synthesis of Phenanthridinone Derivatives with an All-Carbon Quaternary Stereocenter

Sexton, Mary,Malachowski, William P.,Yap, Glenn P. A.,Rachii, Diana,Feldman, Greg,Krasley, Andrew T.,Chen, Zhilin,Tran, My Anh,Wiley, Kalyn,Matei, Alexandra,Petersen, Samantha,Tien, Sabrina Tran

, p. 1154 - 1172 (2022/01/20)

Novel phenanthridinone analogues with an all-carbon quaternary stereocenter have been enantioselectively synthesized using the Birch–Heck sequence. Flat phenanthridinone structures have extensive bioactivity but consequently also suffer from poor therapeutic selectivity. The addition of a quaternary center to the phenanthridinone skeleton has the potential to generate more complex analogues with improved selectivity. Unfortunately, no general synthetic pathway to such derivatives exists. Herein we report a four-step process that transforms inexpensive benzoic acid into 22 different quaternary carbon-containing phenanthridinone analogues with a variety of substituents on all three rings: alkyl groups at the quaternary center; methyl, methoxymethyl, or para-methoxybenzyl on the amide nitrogen; and halogen and methyl substituents on the aryl ring. Good to very good enantioselectivity was demonstrated in the key intramolecular desymmetrizing Mizoroki–Heck reaction. Transformations of the Heck reaction products into molecules with potentially greater therapeutic relevance were also accomplished.

Functionalized Allyl Aryl Ether Synthesis from Benzoic Acids Using a Dearomatization and Decarboxylative Allylation Approach

Hsieh, Cheng-En,Jiang, Yu-Min,Chou, Chih-Ming

supporting information, p. 653 - 665 (2019/01/24)

A strategy toward the preparation of substituted allyl aryl ethers from benzoic acids via a dearomatization and decarboxylative allylation (DcA) reaction is presented. The benzoic acids undergo a dearomatization to give alkylated 2,5-cyclohexadienyl ketoesters which are subjected to a palladium-catalyzed DcA reaction, providing a variety of functionalized allyl aryl ethers. In addition, the combination of a resonance stabilized DcA reaction with a Claisen rearrangement for the synthesis of multisubstituted phenols and applying to dihydroplicatin B derivative synthesis is also presented.

Rapid Access to Ortho-Alkylated Vinylarenes from Aromatic Acids by Dearomatization and Tandem Decarboxylative C-H Olefination/Rearomatization

Tsai, Hung-Chang,Huang, Yen-Hsiang,Chou, Chih-Ming

supporting information, p. 1328 - 1332 (2018/03/09)

A two-step straightforward method for the preparation of ortho-alkylated vinylarenes from readily available benzoic acids is described. The synthetic route involves the dearomatization of benzoic acids by Birch reduction providing alkylated cyclohexa-2,5-dienyl-1-carboxylic acids. The diene subsequently undergoes a decarboxylative C-H olefination followed by rearomatization to deliver ortho-alkylated vinylarene. Mechanistic studies suggest that a Pd/Ag bimetallic catalytic system is important in the tandem decarboxylative C-H olefination/rearomatization step.

Diastereoselective hydroformylation of 2,5-cyclohexadienyl-1-carbinols with catalytic amounts of a reversibly bound directing group

Usui, Ippei,Nomura, Kenichi,Breit, Bernhard

supporting information; experimental part, p. 612 - 615 (2011/04/26)

A phosphinite plays a role as a reversibly bound directing group for the regio-and diastereoselective hydroformylation of 2,5-cyclohexadienyl-1- carbinols. Of the two alkene functions only one was functionalized through hydroformylation to form a syntheti

Simple two-step ipso substitution of aromatic carboxylic acids by alkyl halides

Vorndran, Katja,Linker, Torsten

, p. 2489 - 2491 (2007/10/03)

Methyl-substituted arenes can be synthesized with high regioselectivity in only two steps through formal exchange of an aromatic carboxylic acid function with an alkyl substituent. The results obtained with toluic acid illustrate that good to very good yields can be obtained from inexpensive reagents (see scheme).

Unique carbon-carbon bond homolysis in 3-alkylcyclohexa-1,4-dienyl-3-carboxylic acid radicals

Baguley, Paul A.,Binmore, Gavin,Milne, Aynsley,Walton, John C.

, p. 2199 - 2200 (2007/10/03)

3-Substituted cyclohexadienyl radicals generated by hydrogen abstraction from 3-alkylcyclohexa-1,4-diene-3-carboxylic acids readily fragment to produce alkyl radicals and benzoic acid; suitably functionalised alkyl groups cyclize in moderate yields.

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