3-(3-Hydroxybut-1-en-1-yl)-2,4,4,5-tetramethylcyclohex-2-en-1-one

Base Information

Chemical Name:3-(3-Hydroxybut-1-en-1-yl)-2,4,4,5-tetramethylcyclohex-2-en-1-one
CAS No.:68931-36-2
Molecular Formula:C₁₄H₂₂O₂
Molecular Weight:222.327
Hs Code.:
DSSTox Substance ID:DTXSID10702149
Mol file:68931-36-2.mol

Synonyms:2-Cyclohexen-1-one, 3-(3-hydroxy-1-butenyl)-2,4,4,5-tetramethyl-;DTXSID10702149;68931-36-2;3-(3-Hydroxybut-1-en-1-yl)-2,4,4,5-tetramethylcyclohex-2-en-1-one

Suppliers and Price of 3-(3-Hydroxybut-1-en-1-yl)-2,4,4,5-tetramethylcyclohex-2-en-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-(3-Hydroxybut-1-en-1-yl)-2,4,4,5-tetramethylcyclohex-2-en-1-one

Chemical Property:

PSA：37.30000
LogP:2.87500
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:222.161979940
Heavy Atom Count:16
Complexity:348

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1CC(=O)C(=C(C1(C)C)C=CC(C)O)C

Technology Process of 3-(3-Hydroxybut-1-en-1-yl)-2,4,4,5-tetramethylcyclohex-2-en-1-one

There total 3 articles about 3-(3-Hydroxybut-1-en-1-yl)-2,4,4,5-tetramethylcyclohex-2-en-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:

: 68931-35-1
(E)-4-oxo-β-irone

: 68931-36-2
4-Oxo-β-irol

Guidance literature:: With sodium tetrahydroborate; In methanol;
DOI:10.1002/hlca.19780610706

Reference yield:

: 202481-73-0,54082-69-8
4-(2,5,6,6-tetramethyl-2-cyclohexen-1-yl)-3-buten-2-one

: 68931-36-2
4-Oxo-β-irol

Guidance literature:: Multi-step reaction with 3 steps

1: (i) aq. AcOOH, NaOAc, CH₂Cl₂, (ii) NaOMe, MeOH

2: aq. Na₂Cr₂O₇, H₂SO₄ / diethyl ether

3: NaBH₄ / methanol

With sodium tetrahydroborate; sodium dichromate; sulfuric acid; In methanol; diethyl ether;
DOI:10.1002/hlca.19780610706

Reference yield:

: 68931-34-0
4-Hydroxy-β-iron

: 68931-36-2
4-Oxo-β-irol

Guidance literature:: Multi-step reaction with 2 steps

1: aq. Na₂Cr₂O₇, H₂SO₄ / diethyl ether

2: NaBH₄ / methanol

With sodium tetrahydroborate; sodium dichromate; sulfuric acid; In methanol; diethyl ether;
DOI:10.1002/hlca.19780610706