Pongapin

Base Information

• Chemical Name: Pongapin
• CAS No.: 481-99-2
• Molecular Formula: C19H12O6
• Molecular Weight: 336.295
• DSSTox Substance ID: DTXSID80197422
• Nikkaji Number: J13.189J
• Wikidata: Q83070295
• Pharos Ligand ID: QBWVCDUG4M2F
• Metabolomics Workbench ID: 24645
• ChEMBL ID: CHEMBL577397
• Mol file: 481-99-2.mol

Synonyms:2-(1,3-benzodioxol-5-yl)-3-methoxy-4H-furo(2,3-h)chromen-4-one;4H-furo(2,3-h)-1-benzopyran-4-one, 2-(1,3-benzodioxol-5-yl)-3-methoxy-;pongapin

Chemical Property of Pongapin

Chemical Property:

• Vapor Pressure: 1.11E-10mmHg at 25°C
• Boiling Point: 514.1°Cat760mmHg
• Flash Point: 264.7°C
• PSA: 71.04000
• Density: 1.5g/cm³
• LogP: 3.94350
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 336.06338810
• Heavy Atom Count: 25
• Complexity: 587

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(OC2=C(C1=O)C=CC3=C2C=CO3)C4=CC5=C(C=C4)OCO5

Technology Process of Pongapin

There total 5 articles about Pongapin 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:

1-(4-hydroxybenzofuran-5-yl)-2-methoxyethanone (487-57-0) + benzo[d][1,3]dioxole-5-carboxylic anhydride (6938-53-0) → pongapin (481-99-2)

Guidance literature:

With 3,4-methylenedioxybenzoic acid sodium salt; at 180 ℃; Erhitzen unter vermindertem Druck und anschliessend Erwaermen mit wss.-aethanol. Natronlauge;

Reference yield:

(2-benzo[1,3]dioxol-5-yl-7-hydroxy-3-methoxy-4-oxo-4H-chromen-8-yl)-acetaldehyde (111472-16-3) → pongapin (481-99-2)

Guidance literature:

With phosphoric acid;

DOI:10.1016/0040-4020(58)88041-2

Reference yield:

8-allyl-2-benzo[1,3]dioxol-5-yl-7-hydroxy-3-methoxy-chromen-4-one (102001-87-6) → pongapin (481-99-2)

Guidance literature:

Multi-step reaction with 2 steps

1: formic acid; ozone / anschliessende Hydrierung an Palladium/Kohle

2: phosphoric acid

With formic acid; phosphoric acid; ozone;

DOI:10.1016/0040-4020(58)88041-2

upstream raw materials:

1-(4-hydroxybenzofuran-5-yl)-2-methoxyethanone

benzo[d][1,3]dioxole-5-carboxylic anhydride

(2-benzo[1,3]dioxol-5-yl-7-hydroxy-3-methoxy-4-oxo-4H-chromen-8-yl)-acetaldehyde

phosphoric acid