3-(3-Hydroxy-2,2-dimethylpropyl)cyclohexan-1-one

Base Information

Chemical Name:3-(3-Hydroxy-2,2-dimethylpropyl)cyclohexan-1-one
CAS No.:123776-29-4
Molecular Formula:C₁₁H₂₀O₂
Molecular Weight:184.279
Hs Code.:
DSSTox Substance ID:DTXSID70575977
Mol file:123776-29-4.mol

Synonyms:123776-29-4;3-(3-Hydroxy-2,2-dimethylpropyl)cyclohexan-1-one;DTXSID70575977

Suppliers and Price of 3-(3-Hydroxy-2,2-dimethylpropyl)cyclohexan-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-Hydroxy-2,2-dimethylpropyl)cyclohexan-1-one

Chemical Property:

XLogP3:1.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:184.146329876
Heavy Atom Count:13
Complexity:185

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(CC1CCCC(=O)C1)CO

Technology Process of 3-(3-Hydroxy-2,2-dimethylpropyl)cyclohexan-1-one

There total 1 articles about 3-(3-Hydroxy-2,2-dimethylpropyl)cyclohexan-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: 78.0%

: 6921-35-3
3,3-dimethyloxetane

: 930-68-7
cyclohexenone

: 123776-29-4
3-(3-Hydroxy-2,2-dimethylpropyl)cyclohexan-1-one

Guidance literature:: With copper(I) bromide dimethylsulfide complex; 4,4'-di(tert-butyl)-[1,1-biphenyl]yllithium; Product distribution; other electrophiles;
DOI:10.1021/jo00285a008

Reference yield:

: 123776-29-4
3-(3-Hydroxy-2,2-dimethylpropyl)cyclohexan-1-one

: 124-63-0
methanesulfonyl chloride

: Methanesulfonic acid 2,2-dimethyl-3-(3-oxo-cyclohexyl)-propyl ester

Guidance literature:: With triethylamine; In dichloromethane; at 0 ℃; for 3h;
DOI:10.1021/jo00013a008

Reference yield:

: 123776-29-4
3-(3-Hydroxy-2,2-dimethylpropyl)cyclohexan-1-one

: 134655-07-5
3-(3-Iodo-2,2-dimethylpropyl)cyclohexan-1-one

Guidance literature:: Multi-step reaction with 2 steps

1: Et₃N / CH₂Cl₂ / 3 h / 0 °C

2: NaI / dimethylformamide / 14 h / 90 °C / Heating

With triethylamine; sodium iodide; In dichloromethane; N,N-dimethyl-formamide;
DOI:10.1021/jo00013a008