Piperonylidene acetone

Base Information

• Chemical Name: Piperonylidene acetone
• CAS No.: 3160-37-0
• Molecular Formula: C₁₁H₁₀O₃
• Molecular Weight: 190.199
• Hs Code.: 2932990090
• European Community (EC) Number: 221-608-4
• NSC Number: 217304
• UNII: T43BYJ64EG
• Nikkaji Number: J417.066K,J25.345F
• Wikidata: Q27289640
• ChEMBL ID: CHEMBL104084
• Mol file: 3160-37-0.mol

Synonyms:4-(1,3-benzodioxol-5-yl)-3-butene-2-one;piperonylidene acetone;piperonylidene acetone, (E)-isomer

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Chemical Property of Piperonylidene acetone

Chemical Property:

• Vapor Pressure: 0.000123mmHg at 25°C
• Melting Point: 108-110°C
• Refractive Index: 1.5854 (estimate)
• Boiling Point: 335.1°Cat760mmHg
• Flash Point: 147.6°C
• PSA: 35.53000
• Density: 1.225g/cm³
• LogP: 2.01750
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 190.062994177
• Heavy Atom Count: 14
• Complexity: 247

Purity/Quality:

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)C=CC1=CC2=C(C=C1)OCO2
• Isomeric SMILES: CC(=O)/C=C/C1=CC2=C(C=C1)OCO2

Technology Process of Piperonylidene acetone

There total 10 articles about Piperonylidene acetone 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: 84.0%

4-(benzo[d][1,3]dioxol-5-yl)but-3-en-2-ol (56984-72-6,103573-47-3,130551-29-0) → 4-(benzo[d][1,3]dioxol-5-yl)but-3-en-2-one (3160-37-0,22214-31-9)

Guidance literature:

With p-benzoquinone; In diethylene glycol dimethyl ether; at 120 ℃; for 20h;

DOI:10.1016/S0040-4039(00)97659-7

Reference yield: 65.0%

methanol (67-56-1) + Isopropenyl acetate (108-22-5) + piperonal (120-57-0,30024-74-9) → 4-(benzo[d][1,3]dioxol-5-yl)but-3-en-2-one (3160-37-0,22214-31-9)

Guidance literature:

With N-chloro-succinimide; tin(ll) chloride; In acetonitrile;

DOI:10.1246/cl.1992.2039

Reference yield: 30.21%

piperonal (120-57-0,30024-74-9) + acetone (67-64-1) → 4-(benzo[d][1,3]dioxol-5-yl)but-3-en-2-one (3160-37-0,22214-31-9)

Guidance literature:

With sodium hydroxide; In water; at 0 - 20 ℃;

DOI:10.1016/j.bmcl.2011.04.040

upstream raw materials:

piperonal

acetone

4-(benzo[d][1,3]dioxol-5-yl)but-3-en-2-ol

methanol

Downstream raw materials:

1-(2-(benzo[d][1,3]dioxol-5-yl)-3-(4-fluorobenzoyl)cyclopropyl)ethanone

3,4-(methylenedioxy)cinnamic acid

C₁₉H₁₃NO₄

(E)-N-((E)-4-(benzo[d][1,3]dioxol-5-yl)but-3-en-2-ylidene)-4-methoxyaniline

Refernces

• 1、 Antar, Guilherme M.,Brito, Juliana R.,Costa-Silva, Thais A.,Ferreira, Edgard A.,Lago, Jo?o Henrique G.,Morais, Thiago R.,Sartorelli, Patricia,Souza, Dalete Christine S.,Tempone, Andre G.. "Simplified Derivatives of Dibenzylbutyrolactone Lignans from Hydrocotyle bonariensis as Antitrypanosomal Candidates". . . Retrieved 2021/10/01.
• 2、 Cardia, Maria Cristina,Sanna, Maria Luisa,Meleddu, Rita,Distinto, Simona,Yanez, Matilde,Vina, Dolores,Lamela, Manuel,Maccioni, Elias. "A novel series of 3,4-disubstituted dihydropyrazoles: Synthesis and evaluation for MAO enzyme inhibition". . p. E87-E92. Retrieved 2013/06/05.