3-(3-Hydroxypropyl)cyclohexan-1-one

Base Information

Chemical Name:3-(3-Hydroxypropyl)cyclohexan-1-one
CAS No.:69441-81-2
Molecular Formula:C9H16O2
Molecular Weight:156.22
Hs Code.:
DSSTox Substance ID:DTXSID90480251
Nikkaji Number:J2.470.184K
Mol file:69441-81-2.mol

Synonyms:69441-81-2;3-(3-hydroxypropyl)cyclohexan-1-one;DTXSID90480251;AKOS006324779;3-(3-hydroxy-propyl)-cyclohexan-1-one

Suppliers and Price of 3-(3-Hydroxypropyl)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
Packaging
price

Total 3 raw suppliers

Chemical Property of 3-(3-Hydroxypropyl)cyclohexan-1-one

Chemical Property:

Boiling Point:271.3±13.0 °C(Predicted)
PKA:15.13±0.10(Predicted)
PSA：37.30000
Density:1.010±0.06 g/cm3(Predicted)
LogP:1.51820
XLogP3:0.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:156.115029749
Heavy Atom Count:11
Complexity:132

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CC(CC(=O)C1)CCCO

Technology Process of 3-(3-Hydroxypropyl)cyclohexan-1-one

There total 2 articles about 3-(3-Hydroxypropyl)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: 67.0%

: 943643-06-9
3-(butyltellanyl)propan-1-ol

: 930-68-7
cyclohexenone

: 69441-81-2
3-(3-hydroxy-n-propyl)cyclohexanone

Guidance literature:: 3-(butyltellanyl)propan-1-ol; With n-butyllithium; In tetrahydrofuran; hexane; cooling;

In tetrahydrofuran; hexane; at -70 ℃; for 1h;

cyclohexenone; In tetrahydrofuran; hexane; at -78 - 20 ℃; Further stages.;
DOI:10.1016/j.tet.2007.03.178

Reference yield: 19.0%

: 930-68-7
cyclohexenone

: 627-30-5
1-chloro-3-hydroxypropane

: 69441-81-2
3-(3-hydroxy-n-propyl)cyclohexanone

Guidance literature:: 1-chloro-3-hydroxypropane; With methylmagnesium chloride; In tetrahydrofuran; at 20 ℃; for 0.333333h;

With magnesium; ethylene dibromide; In tetrahydrofuran; for 1h; Heating;

cyclohexenone; With copper(I) bromide; In tetrahydrofuran; at -78 - 0 ℃; for 1h;
DOI:10.1021/jm0512037