3-tert-Butyl-6-oxocyclohex-1-ene-1-carbaldehyde

Base Information

Chemical Name:3-tert-Butyl-6-oxocyclohex-1-ene-1-carbaldehyde
CAS No.:94250-49-4
Molecular Formula:C11H16O2
Molecular Weight:180.247
Hs Code.:
DSSTox Substance ID:DTXSID20539968

Synonyms:94250-49-4;3-tert-Butyl-6-oxocyclohex-1-ene-1-carbaldehyde;DTXSID20539968

Suppliers and Price of 3-tert-Butyl-6-oxocyclohex-1-ene-1-carbaldehyde

Supply Marketing:

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

Manufacturers and distributors:

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Chemical Property of 3-tert-Butyl-6-oxocyclohex-1-ene-1-carbaldehyde

Chemical Property:

XLogP3:2.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:180.115029749
Heavy Atom Count:13
Complexity:256

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)C1CCC(=O)C(=C1)C=O

Technology Process of 3-tert-Butyl-6-oxocyclohex-1-ene-1-carbaldehyde

There total 2 articles about 3-tert-Butyl-6-oxocyclohex-1-ene-1-carbaldehyde 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: 74.0%

: 142179-25-7
4-tert-butyl-2-(hydroxymethylene)cyclohexanone

: 94250-49-4
3-tert-butyl-6-oxo-1-cyclohexene-1-carboxaldehyde

Guidance literature:: With 2,3-dicyano-5,6-dichloro-p-benzoquinone; In 1,4-dioxane; for 0.0833333h; Heating;
DOI:10.1021/jo00204a003

Reference yield:

: 98-53-3
4-tercbutyl-cyclohexanone

: 94250-49-4
3-tert-butyl-6-oxo-1-cyclohexene-1-carboxaldehyde

Guidance literature:: Multi-step reaction with 2 steps

1: 77 percent / NaH / diethyl ether / 1.) 0 deg C, 6h, 2.) 23 deg C, 6h

2: 74 percent / DDQ / dioxane / 0.08 h / Heating

With sodium hydride; 2,3-dicyano-5,6-dichloro-p-benzoquinone; In 1,4-dioxane; diethyl ether;
DOI:10.1021/jo00204a003