3-[2-Hydroxy-4-(2-methyloctan-2-yl)phenyl]cyclohexan-1-one

Base Information

Chemical Name:3-[2-Hydroxy-4-(2-methyloctan-2-yl)phenyl]cyclohexan-1-one
CAS No.:70434-30-9
Molecular Formula:C21H32O2
Molecular Weight:316.484
Hs Code.:
DSSTox Substance ID:DTXSID90509875

Synonyms:70434-30-9;SCHEMBL11160349;DTXSID90509875;OXIROJJENLMQSQ-UHFFFAOYSA-N;3-[2-Hydroxy-4-(2-methyloctan-2-yl)phenyl]cyclohexan-1-one;3-[2-hydroxy-4-(1,1-dimethylheptyl)phenyl]cyclohexanone;3-[4-(1,1-Dimethylheptyl)-2-hydroxyphenyl]cyclohexanone

Suppliers and Price of 3-[2-Hydroxy-4-(2-methyloctan-2-yl)phenyl]cyclohexan-1-one

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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price

Total 1 raw suppliers

Chemical Property of 3-[2-Hydroxy-4-(2-methyloctan-2-yl)phenyl]cyclohexan-1-one

Chemical Property:

PSA：37.30000
LogP:5.86690
XLogP3:6.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:7
Exact Mass:316.240230259
Heavy Atom Count:23
Complexity:374

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCCCCCC(C)(C)C1=CC(=C(C=C1)C2CCCC(=O)C2)O

Technology Process of 3-[2-Hydroxy-4-(2-methyloctan-2-yl)phenyl]cyclohexan-1-one

There total 11 articles about 3-[2-Hydroxy-4-(2-methyloctan-2-yl)phenyl]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: 62.0%

: 70434-13-8
3-<2-(benzyloxy)-4-(1,1-dimethylheptyl)phenyl>cyclohexanone

: 70434-30-9
3-<4-(1,1-dimethylheptyl)-2-hydroxyphenyl>cyclohexanone

Guidance literature:: With hydrogen; sodium hydrogencarbonate; palladium on activated charcoal; In ethanol; for 2h; under 760 Torr;
DOI:10.1021/jm00367a013

Reference yield:

: 70120-16-0
1-bromo-2-benzyloxy-4-(1,1-dimethylheptyl)benzene

: 70434-30-9
3-<4-(1,1-dimethylheptyl)-2-hydroxyphenyl>cyclohexanone

Guidance literature:: Multi-step reaction with 3 steps

1: Mg / tetrahydrofuran / 20 h / Heating

2: CuI / tetrahydrofuran / 0.5 h / -3 °C

3: 62 percent / H₂, NaHCO₃ / 10percent Pd/C / ethanol / 2 h / 760 Torr

With copper(l) iodide; hydrogen; sodium hydrogencarbonate; magnesium; palladium on activated charcoal; In tetrahydrofuran; ethanol;
DOI:10.1021/jm00367a013

Reference yield:

: 930-68-7
cyclohexenone

: 70434-30-9
3-<4-(1,1-dimethylheptyl)-2-hydroxyphenyl>cyclohexanone

Guidance literature:: Multi-step reaction with 2 steps

1: CuI / tetrahydrofuran / 0.5 h / -3 °C

2: 62 percent / H₂, NaHCO₃ / 10percent Pd/C / ethanol / 2 h / 760 Torr

With copper(l) iodide; hydrogen; sodium hydrogencarbonate; palladium on activated charcoal; In tetrahydrofuran; ethanol;
DOI:10.1021/jm00367a013