2-(Cyclohexylmethyl)propane-1,3-diol

Base Information

Chemical Name:2-(Cyclohexylmethyl)propane-1,3-diol
CAS No.:110230-67-6
Molecular Formula:C10H20O2
Molecular Weight:172.268
Hs Code.:
DSSTox Substance ID:DTXSID80547105
Wikidata:Q82425129
Mol file:110230-67-6.mol

Synonyms:2-(Cyclohexylmethyl)propane-1,3-diol;110230-67-6;SCHEMBL11738296;DTXSID80547105

Suppliers and Price of 2-(Cyclohexylmethyl)propane-1,3-diol

Supply Marketing:

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

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Chemical Property of 2-(Cyclohexylmethyl)propane-1,3-diol

Chemical Property:

XLogP3:2.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:172.146329876
Heavy Atom Count:12
Complexity:104

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CCC(CC1)CC(CO)CO

Technology Process of 2-(Cyclohexylmethyl)propane-1,3-diol

There total 3 articles about 2-(Cyclohexylmethyl)propane-1,3-diol 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: 89.0%

: 29805-59-2
diethyl (cyclohexylmethyl)propanedioate

: 110230-67-6
2-(methylcyclohexyl)propane-1,3-diol

Guidance literature:: With lithium aluminium tetrahydride; In tetrahydrofuran; at 0 ℃; for 48h; Inert atmosphere; Reflux;
DOI:10.1016/j.ejmech.2016.03.005

Reference yield:

: 2550-36-9
Cyclohexylmethyl bromide

: 110230-67-6
2-(methylcyclohexyl)propane-1,3-diol

Guidance literature:: Multi-step reaction with 2 steps

1: sodium ethanolate; potassium iodide / ethanol / 48 h / Reflux

2: lithium aluminium tetrahydride / tetrahydrofuran / 48 h / 0 °C / Inert atmosphere; Reflux

With lithium aluminium tetrahydride; sodium ethanolate; potassium iodide; In tetrahydrofuran; ethanol;
DOI:10.1016/j.ejmech.2016.03.005

Reference yield:

: 996-82-7,34727-00-9,73177-21-6
sodium diethylmalonate

: 110230-67-6
2-(methylcyclohexyl)propane-1,3-diol

Guidance literature:: With lithium aluminium tetrahydride; Multistep reaction; 1) ethanol; 2) diethyl ether;
DOI:10.1016/S0040-4039(00)85306-X