2-(1-Butyn-1-yl)-2-methylcyclohexanone

Base Information

Chemical Name:2-(1-Butyn-1-yl)-2-methylcyclohexanone
CAS No.:17782-34-2
Molecular Formula:C₁₁H₁₆O
Molecular Weight:164.247
Hs Code.:
DSSTox Substance ID:DTXSID101284460

Synonyms:17782-34-2;2-(1-Butyn-1-yl)-2-methylcyclohexanone;SCHEMBL11176157;DTXSID101284460

Suppliers and Price of 2-(1-Butyn-1-yl)-2-methylcyclohexanone

Supply Marketing:

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

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Chemical Property of 2-(1-Butyn-1-yl)-2-methylcyclohexanone

Chemical Property:

XLogP3:2.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:164.120115130
Heavy Atom Count:12
Complexity:240

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCC#CC1(CCCCC1=O)C

Technology Process of 2-(1-Butyn-1-yl)-2-methylcyclohexanone

There total 3 articles about 2-(1-Butyn-1-yl)-2-methylcyclohexanone 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: 60.0%

: 116373-17-2
2-(1-butynyl)cyclohexanone

: 74-88-4
methyl iodide

: 17782-34-2
2-(1-butynyl)-2-methylcyclohexanone

Guidance literature:: With lithium diisopropyl amide; In tetrahydrofuran; hexane; -78 deg C to r.t.;
DOI:10.1021/jo00020a024

Reference yield:

: 286-20-4
cyclohexane-1,2-epoxide

: 17782-34-2
2-(1-butynyl)-2-methylcyclohexanone

Guidance literature:: Multi-step reaction with 3 steps

1: 1) n-BuLi, Me₃Ga / 1) THF, hexane, 0 deg C, 2) r.t.

2: 58 percent / Jones reagent / acetone / 1) 0 deg C, 1 h, 2) r.t., 1 h

3: 60 percent / LDA / tetrahydrofuran; hexane / -78 deg C to r.t.

With n-butyllithium; jones reagent; lithium diisopropyl amide; trimethyl gallium; In tetrahydrofuran; hexane; acetone;
DOI:10.1021/jo00020a024

Reference yield:

: 135645-93-1
2-(1-Butynyl)cyclohexanol

: 17782-34-2
2-(1-butynyl)-2-methylcyclohexanone

Guidance literature:: Multi-step reaction with 2 steps

1: 58 percent / Jones reagent / acetone / 1) 0 deg C, 1 h, 2) r.t., 1 h

2: 60 percent / LDA / tetrahydrofuran; hexane / -78 deg C to r.t.

With jones reagent; lithium diisopropyl amide; In tetrahydrofuran; hexane; acetone;
DOI:10.1021/jo00020a024