Piperonyl cyclonene

Base Information

• Chemical Name: Piperonyl cyclonene
• CAS No.: 119-89-1
• Molecular Formula: C19H24 O3
• Molecular Weight: 300.398
• Hs Code.: 2932999014
• UNII: RV88204E3P
• DSSTox Substance ID: DTXSID10922840
• Nikkaji Number: J22.300J
• Wikidata: Q27288303
• Mol file: 119-89-1.mol

Synonyms:PIPERONYL CYCLONENE;Piperonylcyklonen;119-89-1;Piperonylcyklonen [Czech];BRN 0253168;5-(1,3-benzodioxol-5-yl)-3-hexylcyclohex-2-en-1-one;3-Hexyl-5-(3,4-methylenedioxyphenyl)-2-cyclohexen-1-one;ENT 2,818;UNII-RV88204E3P;RV88204E3P;2-Cyclohexen-1-one, 3-hexyl-5-(3,4-(methylenedioxy)phenyl)-;4-19-00-01802 (Beilstein Handbook Reference);5-benzo[1,3]dioxol-5-yl-3-hexyl-cyclohex-2-en-1-one;2-Cyclohexen-1-one, 5-(1,3-benzodioxol-5-yl)-3-hexyl-;PIPERONYL CYCLOHEXENONE;SCHEMBL460870;DTXSID10922840;ENT-2818;LS-57578;Q27288303;5-(2H-1,3-Benzodioxol-5-yl)-3-hexylcyclohex-2-en-1-one;(+/-)-3-HEXYL-5-(3,4-METHYLENEDIOXYPHENYL)-2-CYCLOHEXEN-1-ONE;8066-12-4

Chemical Property of Piperonyl cyclonene

Chemical Property:

• Vapor Pressure: 2.28E-07mmHg at 25°C
• Boiling Point: 423.2°Cat760mmHg
• Flash Point: 201.5°C
• PSA: 35.53000
• Density: 1.099g/cm³
• LogP: 4.75860
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 300.17254462
• Heavy Atom Count: 22
• Complexity: 415

Purity/Quality:

98%,99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCC1=CC(=O)CC(C1)C2=CC3=C(C=C2)OCO3

Technology Process of Piperonyl cyclonene

There total 4 articles about Piperonyl cyclonene 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:

1t-benzo[1,3]dioxol-5-yl-non-1-en-3-one (69232-98-0) → 5-benzo[1,3]dioxol-5-yl-3-hexyl-cyclohex-2-enone (119-89-1)

Guidance literature:

With ethanol; sodium ethanolate; ethyl acetoacetate; Behandeln der Reaktionsloesung mit wss. Salzsaeure und Benzol;

DOI:10.1021/ja01186a067

Reference yield:

piperonal (120-57-0,30024-74-9) → 5-benzo[1,3]dioxol-5-yl-3-hexyl-cyclohex-2-enone (119-89-1)

Guidance literature:

Multi-step reaction with 2 steps

1: aqueous methanol. NaOH-solution

2: sodium ethylate; ethanol; acetoacetic acid ethyl ester / Behandeln der Reaktionsloesung mit wss. Salzsaeure und Benzol

With sodium hydroxide; ethanol; sodium ethanolate; ethyl acetoacetate;

DOI:10.1021/ja01186a067

Reference yield:

hexyl-methyl-ketone (111-13-7) → 5-benzo[1,3]dioxol-5-yl-3-hexyl-cyclohex-2-enone (119-89-1)

Guidance literature:

Multi-step reaction with 2 steps

1: aqueous methanol. NaOH-solution

2: sodium ethylate; ethanol; acetoacetic acid ethyl ester / Behandeln der Reaktionsloesung mit wss. Salzsaeure und Benzol

With sodium hydroxide; ethanol; sodium ethanolate; ethyl acetoacetate;

DOI:10.1021/ja01186a067

upstream raw materials:

1t-benzo[1,3]dioxol-5-yl-non-1-en-3-one

piperonal

hexyl-methyl-ketone

Refernces