Cyclohexaneacetic acid, 1-ethenyl-, ethyl ester

Base Information

Chemical Name:Cyclohexaneacetic acid, 1-ethenyl-, ethyl ester
CAS No.:71593-71-0
Molecular Formula:C12H20O2
Molecular Weight:196.29
Hs Code.:
DSSTox Substance ID:DTXSID80468184
Nikkaji Number:J444.884G
Wikidata:Q82295298

Synonyms:71593-71-0;Cyclohexaneacetic acid, 1-ethenyl-, ethyl ester;SCHEMBL9796453;ethyl (1-vinylcyclohexyl)acetate;DTXSID80468184

Suppliers and Price of Cyclohexaneacetic acid, 1-ethenyl-, ethyl ester

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of Cyclohexaneacetic acid, 1-ethenyl-, ethyl ester

Chemical Property:

XLogP3:3.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:5
Exact Mass:196.146329876
Heavy Atom Count:14
Complexity:202

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)CC1(CCCCC1)C=C

Technology Process of Cyclohexaneacetic acid, 1-ethenyl-, ethyl ester

There total 7 articles about Cyclohexaneacetic acid, 1-ethenyl-, ethyl ester which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 91.0%

: 932-89-8
2-cyclohexylidene ethanol

: 78-39-7
Triethyl orthoacetate

: 71593-71-0
ethyl 3-(1,1-cyclohexyl)-pent-4-enoate

Guidance literature:: With phenol; at 140 - 165 ℃;
DOI:10.1021/acs.orglett.9b01271

Reference yield:

: 1552-92-7
ethyl cyclohexylideneacetate

: 71593-71-0
ethyl 3-(1,1-cyclohexyl)-pent-4-enoate

Guidance literature:: Multi-step reaction with 3 steps

1: 83 percent / aluminium hydride / diethyl ether / 0.5 h / 0 °C

2: o-cresol / 7 h / 140 - 150 °C

3: phosphoric acid / 7 h / 170 - 180 °C

With aluminium hydride; phosphoric acid; ortho-cresol; In diethyl ether;

Reference yield:

: 108-94-1,11119-77-0,9003-41-2,9075-99-4
cyclohexanone

: 71593-71-0
ethyl 3-(1,1-cyclohexyl)-pent-4-enoate

Guidance literature:: Multi-step reaction with 3 steps

1.1: n-butyllithium / tetrahydrofuran; hexane / 0.5 h / 0 °C / Inert atmosphere

1.2: 14 h / 0 - 20 °C / Inert atmosphere

2.1: diisobutylaluminium hydride / dichloromethane / 3 h / -78 °C / Inert atmosphere

3.1: phenol / 140 - 165 °C

With n-butyllithium; diisobutylaluminium hydride; phenol; In tetrahydrofuran; hexane; dichloromethane; 3.1: |Johnson-Claisen Rearrangement;
DOI:10.1021/acs.orglett.9b01271