Ethyl 2,4-dimethylcyclohexa-1,3-diene-1-carboxylate

Base Information

Chemical Name:Ethyl 2,4-dimethylcyclohexa-1,3-diene-1-carboxylate
CAS No.:30021-64-8
Molecular Formula:C11H16O2
Molecular Weight:180.247
Hs Code.:
DSSTox Substance ID:DTXSID90544529
Wikidata:Q82421649

Synonyms:Ethyl 2,4-dimethylcyclohexa-1,3-diene-1-carboxylate;30021-64-8;DTXSID90544529

Suppliers and Price of Ethyl 2,4-dimethylcyclohexa-1,3-diene-1-carboxylate

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

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Chemical Property of Ethyl 2,4-dimethylcyclohexa-1,3-diene-1-carboxylate

Chemical Property:

XLogP3:1.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:180.115029749
Heavy Atom Count:13
Complexity:272

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCOC(=O)C1=C(C=C(CC1)C)C

Technology Process of Ethyl 2,4-dimethylcyclohexa-1,3-diene-1-carboxylate

There total 4 articles about Ethyl 2,4-dimethylcyclohexa-1,3-diene-1-carboxylate 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: 64.0%

: lithium dimethylcuprate

: 95455-71-3
2-Methyl-4-trifluoromethanesulfonyloxy-cyclohexa-1,3-dienecarboxylic acid ethyl ester

: 30021-64-8
ethyl 2,6-dimethyl-1,3-cyclohexadiene-1-carboxylate

Guidance literature:: In diethyl ether; -40 deg C -> RT;
DOI:10.1016/S0040-4020(01)91536-4

Reference yield: 50.0%

: 917-64-6
methyl magnesium iodide

: 487-51-4
4-carbethoxy-3-methyl-2-cyclohexen-1-one

: 30021-64-8
ethyl 2,6-dimethyl-1,3-cyclohexadiene-1-carboxylate

Guidance literature:: In benzene; at 0 ℃; for 1h;
DOI:10.1016/S0040-4020(01)91536-4

Reference yield:

: 487-51-4
4-carbethoxy-3-methyl-2-cyclohexen-1-one

: 30021-64-8
ethyl 2,6-dimethyl-1,3-cyclohexadiene-1-carboxylate

Guidance literature:: Multi-step reaction with 2 steps

1: diethyl ether / 0 °C

2: thermal or acidocatalyzed dehydration

In diethyl ether;
DOI:10.1016/S0040-4039(00)88014-4