2-Cyclohexen-1-one, 4-(3-hydroxypropyl)-3-methyl-

Base Information

Chemical Name:2-Cyclohexen-1-one, 4-(3-hydroxypropyl)-3-methyl-
CAS No.:120950-90-5
Molecular Formula:C10H16O2
Molecular Weight:168.236
Hs Code.:
DSSTox Substance ID:DTXSID10455724
Mol file:120950-90-5.mol

Synonyms:120950-90-5;2-Cyclohexen-1-one, 4-(3-hydroxypropyl)-3-methyl-;DTXSID10455724

Suppliers and Price of 2-Cyclohexen-1-one, 4-(3-hydroxypropyl)-3-methyl-

Supply Marketing:

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

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Chemical Property of 2-Cyclohexen-1-one, 4-(3-hydroxypropyl)-3-methyl-

Chemical Property:

XLogP3:0.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:168.115029749
Heavy Atom Count:12
Complexity:194

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC(=O)CCC1CCCO

Technology Process of 2-Cyclohexen-1-one, 4-(3-hydroxypropyl)-3-methyl-

There total 6 articles about 2-Cyclohexen-1-one, 4-(3-hydroxypropyl)-3-methyl- 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: 20.0%

: 592479-21-5
7-methyl-2-oxaspiro[5.5]undec-7-ene-1,9-dione

: 120950-90-5
3-methyl-4-(3-hydroxypropyl)-cyclohex-2-en-1-one

Guidance literature:: With potassium hydroxide; In tetrahydrofuran; water; at 80 ℃; for 16h;
DOI:10.1002/ejoc.200300009

Reference yield:

: 3-Methyl-4-[3-(tetrahydro-pyran-2-yloxy)-propyl]-cyclohex-2-enone

: 120950-90-5
3-methyl-4-(3-hydroxypropyl)-cyclohex-2-en-1-one

Guidance literature:: With pyridinium p-toluenesulfonate; In methanol; at 50 ℃; for 5h; Yield given;
DOI:10.1016/S0040-4020(01)86641-2

Reference yield:

: 63872-58-2
α-acetyl-δ-valerolactone

: 120950-90-5
3-methyl-4-(3-hydroxypropyl)-cyclohex-2-en-1-one

Guidance literature:: Multi-step reaction with 3 steps

1: 94 percent / tBuONa / CH₂Cl₂

2: 69 percent / pyrrolidine; AcOH / various solvent(s) / 16 h / 20 °C

3: 20 percent / KOH / tetrahydrofuran; H₂O / 16 h / 80 °C

With pyrrolidine; potassium hydroxide; acetic acid; sodium t-butanolate; In tetrahydrofuran; dichloromethane; water; 1: Michael reaction;
DOI:10.1002/ejoc.200300009