4-methyl-6-[(1E,3E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]pyran-2-one

Base Information

Chemical Name:4-methyl-6-[(1E,3E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]pyran-2-one
CAS No.:87424-83-7
Molecular Formula:C20H26O2
Molecular Weight:298.425
Hs Code.:
DSSTox Substance ID:DTXSID30421027
Wikidata:Q82232370
Mol file:87424-83-7.mol

Synonyms:87424-83-7;(E,E)-6-ALPHA-IONYLIDENE-4-METHYLPYRAN-2-ONE;4-methyl-6-[(1E,3E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]pyran-2-one;(E,E)-6-alpha-Ionylidene-4-methylpyran-2-one-d5;1331668-72-4;AC1NXOU5;(E,E)-6-|A-Ionylidene-4-methylpyran-2-one;DTXSID30421027;IDONGASDKGNTSU-HUKVCQRGSA-N

Suppliers and Price of 4-methyl-6-[(1E,3E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]pyran-2-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

TRC
(E,E)-6-α-Ionylidene-4-methylpyran-2-one
100mg
$ 1055.00

American Custom Chemicals Corporation
(E,E)-6-ALPHA-IONYLIDENE-4-METHYLPYRAN-2-ONE 95.00%
5MG
$ 500.29

Total 4 raw suppliers

Chemical Property of 4-methyl-6-[(1E,3E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]pyran-2-one

Chemical Property:

PSA：30.21000
LogP:5.43430
XLogP3:5.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:298.193280068
Heavy Atom Count:22
Complexity:622

Purity/Quality:

95% ^*data from raw suppliers

(E,E)-6-α-Ionylidene-4-methylpyran-2-one ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=C(C(CCC1)(C)C)C=CC(=CC2=CC(=CC(=O)O2)C)C
Isomeric SMILES:CC1=C(C(CCC1)(C)C)/C=C/C(=C/C2=CC(=CC(=O)O2)C)/C

Technology Process of 4-methyl-6-[(1E,3E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]pyran-2-one

There total 2 articles about 4-methyl-6-[(1E,3E)-2-methyl-4-(2,6,6-trimethylcyclohexen-1-yl)buta-1,3-dienyl]pyran-2-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:

: 4394-72-3
4-methyl-6-(2-methylprop-1-en-1-yl)-2H-pyran-2-one

: 87424-83-7,17218-99-4
4-Methyl-6-<(1E,3E)-2-methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-1,3-butadien-1-yl>-2H-pyran-2-on

Guidance literature:: Multi-step reaction with 2 steps

1: SeO₂ / H₂O; dioxane / 12 h / Heating

2: 1.) NaN(SiMe₃)2 / 1.) benzene, 1 h, reflux; 2.) 12 h, room temperature

With selenium(IV) oxide; sodium hexamethyldisilazane; In 1,4-dioxane; water;
DOI:10.1002/jlac.198419841014

Reference yield:

: 87424-82-6
(E)-2-Methyl-3-(4-methyl-2-oxo-2H-pyran-6-yl)propenal

: 56013-01-5
triphenyl((2,6,6-trimethylcyclohex-1-enyl)methyl)phosphonium bromide

: 87424-83-7,17218-99-4
4-Methyl-6-<(1E,3E)-2-methyl-4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-1,3-butadien-1-yl>-2H-pyran-2-on

Guidance literature:: With sodium hexamethyldisilazane; Yield given. Multistep reaction; 1.) benzene, 1 h, reflux; 2.) 12 h, room temperature;
DOI:10.1002/jlac.198419841014