5-[(4-Hydroxyphenyl)methyl]-3,3-dimethylcyclohexan-1-one

Base Information

Chemical Name:5-[(4-Hydroxyphenyl)methyl]-3,3-dimethylcyclohexan-1-one
CAS No.:60741-78-8
Molecular Formula:C15H20O2
Molecular Weight:232.323
Hs Code.:
DSSTox Substance ID:DTXSID00519667

Synonyms:60741-78-8;5-[(4-Hydroxyphenyl)methyl]-3,3-dimethylcyclohexan-1-one;DTXSID00519667

Suppliers and Price of 5-[(4-Hydroxyphenyl)methyl]-3,3-dimethylcyclohexan-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 5-[(4-Hydroxyphenyl)methyl]-3,3-dimethylcyclohexan-1-one

Chemical Property:

XLogP3:3.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:232.146329876
Heavy Atom Count:17
Complexity:275

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1(CC(CC(=O)C1)CC2=CC=C(C=C2)O)C

Technology Process of 5-[(4-Hydroxyphenyl)methyl]-3,3-dimethylcyclohexan-1-one

There total 3 articles about 5-[(4-Hydroxyphenyl)methyl]-3,3-dimethylcyclohexan-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: 70.0%

: 60741-76-6
3-(4-methoxybenzyl)-5,5-dimethylcyclohexanone

: 60741-78-8
3-(4-hydroxybenzyl)-5,5-dimethylcyclohexanone

Guidance literature:: With hydrogen bromide; at 120 - 130 ℃; for 2h;
DOI:10.1248/cpb.31.3915

Reference yield:

: 4694-17-1
5,5-dimethlycyclohex-2-en-1-one

: 60741-78-8
3-(4-hydroxybenzyl)-5,5-dimethylcyclohexanone

Guidance literature:: Multi-step reaction with 2 steps

1: 30 percent / 1.) Mg; 2.) CuCl / diethyl ether / 1.) -20 deg C; 2.) -40 deg C, then rt.

2: 70 percent / 47percent aq. HBr / 2 h / 120 - 130 °C

With hydrogen bromide; magnesium; copper(l) chloride; In diethyl ether;
DOI:10.1248/cpb.31.3915

Reference yield:

: 824-94-2
p-methoxybenzyl chloride

: 60741-78-8
3-(4-hydroxybenzyl)-5,5-dimethylcyclohexanone

Guidance literature:: Multi-step reaction with 2 steps

1: 30 percent / 1.) Mg; 2.) CuCl / diethyl ether / 1.) -20 deg C; 2.) -40 deg C, then rt.

2: 70 percent / 47percent aq. HBr / 2 h / 120 - 130 °C

With hydrogen bromide; magnesium; copper(l) chloride; In diethyl ether;
DOI:10.1248/cpb.31.3915