Gibepyrone A

Base Information

Chemical Name:Gibepyrone A
CAS No.:146446-05-1
Molecular Formula:C10H12O2
Molecular Weight:164.20100
Hs Code.:
UNII:A5Q9UJ9CFR
Nikkaji Number:J1.698.823E,J2.367.246D
Wikidata:Q104993933
Metabolomics Workbench ID:99828

Synonyms:Gibepyrone A;Fusalanipyrone , (E)-;A5Q9UJ9CFR;UNII-A5Q9UJ9CFR;146446-05-1;6-((E)-But-2-en-2-yl)-3-methylpyran-2-one;3-Methyl-6-((1E)-1-methyl-1-propen-1-yl)-2H-pyran-2-one;2H-Pyran-2-one, 3-methyl-6-((1E)-1-methyl-1-propen-1-yl)-;6-[(E)-but-2-en-2-yl]-3-methylpyran-2-one;CHEBI:156363;3-Methyl-6-(1-methyl-1-propenyl)-2H-pyran-2-one;3-Methyl-6-[(E)-1-methyl-1-propenyl]-2-pyranone;6-[(2E)-2-Buten-2-yl]-3-methyl-2H-pyran-2-one;InChI=1/C10H12O2/c1-4-7(2)9-6-5-8(3)10(11)12-9/h4-6H,1-3H3/b7-4

Suppliers and Price of Gibepyrone A

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 15 raw suppliers

Chemical Property of Gibepyrone A

Chemical Property:

Boiling Point:300.8±11.0 °C(Predicted)
PSA：30.21000
Density:1.045±0.06 g/cm3(Predicted)
LogP:2.37140
XLogP3:2.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:164.083729621
Heavy Atom Count:12
Complexity:293

Purity/Quality:: 99% ,98%,Electron Grade , ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC=C(C)C1=CC=C(C(=O)O1)C
Isomeric SMILES:C/C=C(\C)/C1=CC=C(C(=O)O1)C

Technology Process of Gibepyrone A

There total 1 articles about Gibepyrone A 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: 16.0%

: 35660-94-7
(E)-2-methylbut-2-enoyl chloride

: 1192-37-6
methylenecyclohexane

: 14316-68-8
(E)-2-methyl-2-butenoic anhydride

: 30123-65-0
3-methyl-6-(1-methylallyl)-α-pyrone

: 89237-38-7
1-methyl-1-vinylspiro<3.5>nonan-2-one

: 146446-05-1
(E)-6-(but-2-en-2-yl)-3-methyl-2H-pyran-2-one

Guidance literature:: With triethylamine; In neat (no solvent); at 150 ℃; for 4h; Product distribution; other temperatures, other times, also with solvents;
DOI:10.1002/hlca.19830660744

Reference yield: 20.0%

: 146446-05-1
(E)-6-(but-2-en-2-yl)-3-methyl-2H-pyran-2-one

: 146446-11-9
Gibepyrone F

: 146446-10-8
6-((2R,3S)-2,3-Dimethyl-oxiranyl)-3-methyl-pyran-2-one

Guidance literature:: With sodium hydrogencarbonate; 3-chloro-benzenecarboperoxoic acid; In dichloromethane; for 0.5h;
DOI:10.1016/S0040-4020(01)80514-7

Reference yield:

: 146446-05-1
(E)-6-(but-2-en-2-yl)-3-methyl-2H-pyran-2-one

: 146446-11-9
Gibepyrone F

Guidance literature:: Multi-step reaction with 3 steps

1: N-bromosuccinimide (NBS), benzoyl peroxide / CH₂Cl₂ / 24 h / Heating

2: Na₂CO₃ / acetone; H₂O / 24 h

3: 30 percent / PDC / CH₂Cl₂ / 0.25 h

With N-Bromosuccinimide; dipyridinium dichromate; Perbenzoic acid; sodium carbonate; In dichloromethane; water; acetone;
DOI:10.1016/S0040-4020(01)80514-7