3-(3,3-Dimethylbut-1-yn-1-yl)cyclohex-2-en-1-one

Base Information

Chemical Name:3-(3,3-Dimethylbut-1-yn-1-yl)cyclohex-2-en-1-one
CAS No.:63923-08-0
Molecular Formula:C12H16O
Molecular Weight:176.258
Hs Code.:
DSSTox Substance ID:DTXSID60562538
Nikkaji Number:J1.980.008C

Synonyms:63923-08-0;3-(3,3-Dimethylbut-1-yn-1-yl)cyclohex-2-en-1-one;DTXSID60562538

Suppliers and Price of 3-(3,3-Dimethylbut-1-yn-1-yl)cyclohex-2-en-1-one

Supply Marketing:

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

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Chemical Property of 3-(3,3-Dimethylbut-1-yn-1-yl)cyclohex-2-en-1-one

Chemical Property:

XLogP3:2.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:176.120115130
Heavy Atom Count:13
Complexity:301

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)C#CC1=CC(=O)CCC1

Technology Process of 3-(3,3-Dimethylbut-1-yn-1-yl)cyclohex-2-en-1-one

There total 7 articles about 3-(3,3-Dimethylbut-1-yn-1-yl)cyclohex-2-en-1-one 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: 66.0%

: 75359-81-8,75359-82-9
(2S,3S)-3-(3,3-Dimethyl-but-1-ynyl)-2-phenylselanyl-cyclohexanone

: 63923-08-0
3-(3,3-dimethylbut-1-ynyl)cyclohex-2-enone

Guidance literature:: With dihydrogen peroxide; In tetrahydrofuran; ammonium chloride/ammonia buffer;
DOI:10.1016/S0040-4039(00)92756-4

Reference yield:

: C₁₂H₁₈O

: 63923-08-0
3-(3,3-dimethylbut-1-ynyl)cyclohex-2-enone

Guidance literature:: With 2,2,6,6-tetramethyl-piperidine-N-oxyl; silica-supported sodium periodate; In dichloromethane; at 20 ℃; Inert atmosphere;
DOI:10.1021/ol200219m

Reference yield:

: 930-68-7
cyclohexenone

: 63923-08-0
3-(3,3-dimethylbut-1-ynyl)cyclohex-2-enone

Guidance literature:: Multi-step reaction with 2 steps

2: 66 percent / 30 percent aq. H₂O₂ / tetrahydrofuran / ammonium chloride/ammonia buffer

With dihydrogen peroxide; In tetrahydrofuran;
DOI:10.1016/S0040-4039(00)92756-4