Dillapional

Base Information

• Chemical Name: Dillapional
• CAS No.: 38971-74-3
• Molecular Formula: C12H12O5
• Molecular Weight: 236.2207
• NSC Number: 369504
• DSSTox Substance ID: DTXSID50420032
• Nikkaji Number: J61.273A
• Wikidata: Q82231285
• ChEMBL ID: CHEMBL1983011
• Mol file: 38971-74-3.mol

Synonyms:DILLAPIONAL;38971-74-3;NSC369504;NSC 369504;(E)-3-(6,7-dimethoxy-1,3-benzodioxol-5-yl)prop-2-enal;SCHEMBL7191379;CHEMBL1983011;DTXSID50420032;CHEBI:172477;NSC-369504;(E)-3-(6,7-Dimethoxy-1,3-benzodioxol-5-yl)-2-propenal

Chemical Property of Dillapional

Chemical Property:

• Vapor Pressure: 1.16E-05mmHg at 25°C
• Boiling Point: 369.7°Cat760mmHg
• Flash Point: 165.3°C
• PSA: 53.99000
• Density: 1.263g/cm³
• LogP: 1.64460
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 236.06847348
• Heavy Atom Count: 17
• Complexity: 291

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C2=C(C=C1C=CC=O)OCO2)OC
• Isomeric SMILES: COC1=C(C2=C(C=C1/C=C/C=O)OCO2)OC

Technology Process of Dillapional

There total 6 articles about Dillapional 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:

dillapiole (484-31-1) → dihydroxydillapiole (55932-45-1) + 4.5-Dimethoxy-6-(1-propenyl)-1,3-benzodioxol (17672-89-8) + 2,3-dimethoxy-4,5-methylenedioxybenzaldehyde (23731-65-9) + Dillapional (38971-74-3)

Guidance literature:

With rose bengal (adsorbed on silica gel); oxygen; In tetrachloromethane; for 48h; Irradiation;

Reference yield:

dillapiole (484-31-1) → 4.5-Dimethoxy-6-(1-propenyl)-1,3-benzodioxol (17672-89-8) + 2,3-dimethoxy-4,5-methylenedioxybenzaldehyde (23731-65-9) + dihydrodillapiole (38174-54-8) + Dillapional (38971-74-3)

Guidance literature:

In methanol; for 72h; Further byproducts given; Irradiation;

Reference yield:

methanol (67-56-1) + dillapiole (484-31-1) → 4.5-Dimethoxy-6-(1-propenyl)-1,3-benzodioxol (17672-89-8) + 2,3-dimethoxy-4,5-methylenedioxybenzaldehyde (23731-65-9) + dihydrodillapiole (38174-54-8) + Dillapional (38971-74-3) + 1-Cyclopropyl-2,3-dimethoxy-4,5-methylenedioxybenzene (94358-39-1) + 4,5-Dimethoxy-6-(1-methoxy-propyl)-benzo[1,3]dioxole (69232-77-5)

Guidance literature:

With oxygen; for 72h; Product distribution; Irradiation; other substrate: isodillapiole, other solvent (in presence of rose bengal on silica gel): CCl₄;

upstream raw materials:

methanol

dillapiole

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