Viburtinal

Base Information

• Chemical Name: Viburtinal
• CAS No.: 63661-79-0
• Molecular Formula: C10H8O2
• Molecular Weight: 160.1693
• DSSTox Substance ID: DTXSID50213042
• Nikkaji Number: J20.185E
• Wikidata: Q83088293
• Metabolomics Workbench ID: 47176
• Mol file: 63661-79-0.mol

Synonyms:Viburtinal;4-Methylcyclopenta[c]pyran-7-carbaldehyde;63661-79-0;Cyclopenta(c)pyran-7-carboxaldehyde, 4-methyl-;Cyclopenta[c]pyran-7-carboxaldehyde, 4-methyl-;4-Methyl-Cyclopenta(c)pyran-7-carboxaldehyde;4-Methyl-Cyclopenta[c]pyran-7-carboxaldehyde;DTXSID50213042;CHEBI:190770;7-formyl-4-methylcyclopenta[c]pyran;4-Methylcyclopenta[c]pyran-7-carbaldehyde #;4-Methylcyclopenta[c]pyran-7-carboxaldehyde, 9CI

Chemical Property of Viburtinal

Chemical Property:

• Vapor Pressure: 2.2E-06mmHg at 25°C
• Boiling Point: 393°Cat760mmHg
• Flash Point: 208.2°C
• PSA: 30.21000
• Density: 1.2g/cm³
• LogP: 2.50530
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 160.052429494
• Heavy Atom Count: 12
• Complexity: 179

Purity/Quality:

95%+ or 98%+ ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=COC=C2C1=CC=C2C=O

Technology Process of Viburtinal

There total 2 articles about Viburtinal 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: 55.0%

4-Methyl-3,4-dihydro-cyclopenta[c]pyran-7-carbaldehyde → viburtinal (63661-79-0)

Guidance literature:

With 2,3-dicyano-5,6-dichloro-p-benzoquinone; benzene; for 4h; Heating;

DOI:10.1039/c39830000257

Reference yield:

2-(2-Hydroxy-1-methyl-ethyl)-5-[1-hydroxy-meth-(Z)-ylidene]-cyclopenta-1,3-dienecarbaldehyde → viburtinal (63661-79-0)

Guidance literature:

Multi-step reaction with 2 steps

1: anhydrous C₆H₆, anhydrous (COOH)2 / 1 h / Heating

2: 55 percent / DDQ, anhydrous C₆H₆ / 4 h / Heating

With oxalic acid; 2,3-dicyano-5,6-dichloro-p-benzoquinone; benzene;

DOI:10.1039/c39830000257