DILLAPIOLE

Base Information

• Chemical Name: DILLAPIOLE
• CAS No.: 484-31-1
• Molecular Formula: C12H14O4
• Molecular Weight: 222.24
• European Community (EC) Number: 621-020-1
• UNII: 438CJQ562D
• DSSTox Substance ID: DTXSID80862007
• Nikkaji Number: J12.531H
• Wikipedia: Dillapiole
• Wikidata: Q419537
• Metabolomics Workbench ID: 44524
• ChEMBL ID: CHEMBL470874
• Mol file: 484-31-1.mol

Synonyms:1-allyl-4,5-methylenedioxy-2,3-dimethoxybenzene;1,3-Benzodioxole, 4,5-dimethoxy-6-(2-propenyl)-;4,5-dimethoxy-6-prop-2-enyl-1,3-benzodioxole;6-ALLYL-4,5-DIMETHOXY-1,3-BENZODIOXOLE;2,3-dimethoxy-4,5-methylenedioxy-allylbenzene;4,5-Dimethoxy-6-allyl-1,3-benzodioxole;dillapiol;

Chemical Property of DILLAPIOLE

Chemical Property:

• Vapor Pressure: 0.00556mmHg at 25°C
• Melting Point: 29.5°
• Refractive Index: n20/D 1.533
• Boiling Point: 283°Cat760mmHg
• Flash Point: 105.7°C
• PSA: 36.92000
• Density: 1.151g/cm³
• LogP: 2.16100
• Storage Temp.: 2-8°C
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 222.08920892
• Heavy Atom Count: 16
• Complexity: 243

Purity/Quality:

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

Dillapiol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22
• Safety Statements: 23-24/25

MSDS Files:

Useful:

• Canonical SMILES: COC1=C(C2=C(C=C1CC=C)OCO2)OC
• Uses: Dillapiol is an organic compound and essential oil commonly extracted from dill weed, though it can be found in a variety of other plants such as fennel root. Dillapiole may be used as an analytical reference standard for the quantification of the analyte in French bean Phaseolus sp. treated with pesticidal formulation, dill, caraway seeds and pharmaceutical formulations using chromatography techniques.

Technology Process of DILLAPIOLE

There total 20 articles about DILLAPIOLE 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: 82.0%

4,5-dihydroxy-6-(2-propenyl)-1,3-benzodioxole (316800-10-9) + methyl iodide (74-88-4) → dillapiole (484-31-1)

Guidance literature:

With potassium carbonate; In acetone; at 20 ℃; for 60h;

DOI:10.1139/v00-138

Reference yield: 80.0%

5-hydroxy-4-methoxy-6-(2-propenyl)-1,3-benzodioxole (23731-60-4) + methyl iodide (74-88-4) → dillapiole (484-31-1)

Guidance literature:

With potassium carbonate; In acetone; at 20 ℃; for 48h;

DOI:10.1139/v00-138

Reference yield: 78.0%

4-hydroxy-5-methoxy-6-(2-propenyl)-1,3-benzodioxole (159391-00-1) + methyl iodide (74-88-4) → dillapiole (484-31-1)

Guidance literature:

With potassium carbonate; at 20 ℃; for 72h;

DOI:10.1139/v00-138

upstream raw materials:

diiodomethane

5-allyl-3,4-dimethoxy-pyrocatechol

4-hydroxy-5-methoxy-6-(2-propenyl)-1,3-benzodioxole

methyl iodide

Downstream raw materials:

4.5-Dimethoxy-6-(1-propenyl)-1,3-benzodioxol

2,3-dimethoxy-4,5-methylenedioxybenzaldehyde

dihydrodillapiole

Dillapional