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

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:

4-(2H-1,3-Benzodioxol-5-yl)but-3-en-2-one ^*data from reagent suppliers

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:

1,5-bis-benzo[1,3]dioxol-5-yl-penta-1,4-dien-3-one

1t-benzo[1,3]dioxol-5-yl-5t-phenyl-penta-1,4-dien-3-one

cassione

C₂₂H₂₄O₄

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