1-(1,3-Benzodioxol-5-yl)-4,4-dimethyl-1-penten-3-one

Base Information Edit

Chemical Name:1-(1,3-Benzodioxol-5-yl)-4,4-dimethyl-1-penten-3-one
CAS No.:144850-45-3
Molecular Formula:C₁₄H₁₆O₃
Molecular Weight:232.279
Hs Code.:
European Community (EC) Number:604-446-2
Wikidata:Q76386993
Mol file:144850-45-3.mol

Synonyms:2419-68-3;1-(3,4-Methylenedioxyphenyl)-4,4-dimethyl-pent-1-en-3-one;(E)-1-(1,3-benzodioxol-5-yl)-4,4-dimethylpent-1-en-3-one;144850-45-3;(E)-1-(Benzo[d][1,3]dioxol-5-yl)-4,4-dimethylpent-1-en-3-one;1-(Benzo[d][1,3]dioxol-5-yl)-4,4-dimethylpent-1-en-3-one;1-(1,3-Benzodioxol-5-yl)-4,4-dimethyl-1-penten-3-one;1-Penten-3-one, 1-(1,3-benzodioxol-5-yl)-4,4-dimethyl-;(1E)-1-(2H-1,3-BENZODIOXOL-5-YL)-4,4-DIMETHYLPENT-1-EN-3-ONE;1-(3,4-Methylenedioxyphenyl)-4,4-dimethyl-d6-pent-1-en-3-one-d3;starbld0018976;SCHEMBL1046950;SCHEMBL1046951;MFCD00017633;WS-01622;LS-102139;W12172;J-015391;(E)-4,4-dimethyl-1-(3,4-methylenedioxyphenyl)pent-1-en-3-one;E)-1-(3,4-Methylenedioxyphenyl)-4,4-Dimethyl-Pent-1-En-3-One

Suppliers and Price of 1-(1,3-Benzodioxol-5-yl)-4,4-dimethyl-1-penten-3-one

Supply Marketing:Edit

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 3 raw suppliers

Chemical Property of 1-(1,3-Benzodioxol-5-yl)-4,4-dimethyl-1-penten-3-one Edit

Chemical Property:

Vapor Pressure:2.49E-05mmHg at 25°C
Melting Point:93-94 °C(Solv: ethanol (64-17-5))
Boiling Point:358.8±11.0 °C(Predicted)
Density:1.134±0.06 g/cm3(Predicted)
XLogP3:3.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:232.109944368
Heavy Atom Count:17
Complexity:314

Purity/Quality:: 99.9% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)(C)C(=O)C=CC1=CC2=C(C=C1)OCO2
Isomeric SMILES:CC(C)(C)C(=O)/C=C/C1=CC2=C(C=C1)OCO2
Uses 3-Deshydroxy 3-Keto Stiripentol is an intermediate used in the synthesis of Stiripentol Glucuronide (~90%) (S686860), which is a metabolite of Stiripentol (S686825), an epilepsy drug. Stiripentol?inhibits the enzymes responsible for metabolism of other anti-convulsant agents and has been used as co-therapy for treatment of epilepsy

Technology Process of 1-(1,3-Benzodioxol-5-yl)-4,4-dimethyl-1-penten-3-one

There total 4 articles about 1-(1,3-Benzodioxol-5-yl)-4,4-dimethyl-1-penten-3-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: 78.0%

: 75-97-8
3,3-dimethyl-butan-2-one

: 120-57-0,30024-74-9
piperonal

: 144850-45-3
(E)-4,4-dimethyl-1-(3,4-methylenedioxyphenyl)pent-1-en-3-one

Guidance literature:: With potassium hydroxide; In methanol; water; at 70 ℃; for 5h;
DOI:10.1016/j.molstruc.2018.11.088

Reference yield:

: 120-57-0,30024-74-9
piperonal

: 144850-45-3
(E)-4,4-dimethyl-1-(3,4-methylenedioxyphenyl)pent-1-en-3-one

Guidance literature:: With sodium hydroxide; at 20 ℃;

Reference yield:

: 139-85-5
3,4-dihydroxybenzaldehyde

: 144850-45-3
(E)-4,4-dimethyl-1-(3,4-methylenedioxyphenyl)pent-1-en-3-one

Guidance literature:: Multi-step reaction with 2 steps

1: potassium carbonate / N,N-dimethyl-formamide / 4 h / Reflux

2: potassium hydroxide / methanol; water / 5 h / 70 °C

With potassium carbonate; potassium hydroxide; In methanol; water; N,N-dimethyl-formamide; 2: Claisen Schmidt condensation;
DOI:10.1016/j.ejmech.2011.11.004