Cyrtominetin

Base Information

• Chemical Name: Cyrtominetin
• CAS No.: 95272-99-4
• Molecular Formula: C17H16O6
• Molecular Weight: 316.31
• European Community (EC) Number: 305-910-4
• DSSTox Substance ID: DTXSID80915042
• Nikkaji Number: J2.346.322I
• Metabolomics Workbench ID: 27570
• ChEMBL ID: CHEMBL1224646
• Mol file: 95272-99-4.mol

Synonyms:cyrtominetin

Chemical Property of Cyrtominetin

Chemical Property:

• Vapor Pressure: 3E-16mmHg at 25°C
• Melting Point: 220 - 223 °C
• Boiling Point: 625.7°Cat760mmHg
• Flash Point: 235°C
• PSA: 107.22000
• Density: 1.476g/cm³
• LogP: 2.83230
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 1
• Exact Mass: 316.09468823
• Heavy Atom Count: 23
• Complexity: 454

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=C(C(=C2C(=C1O)C(=O)CC(O2)C3=CC(=C(C=C3)O)O)C)O

Technology Process of Cyrtominetin

There total 3 articles about Cyrtominetin 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-(2,4,6-trihydroxy-3,5-dimethylphenyl)ethan-1-one (13383-63-6) + 3,4-dihydroxybenzaldehyde (139-85-5) → 2-(3,4-dihydroxy-phenyl)-5,7-dihydroxy-6,8-dimethyl-chroman-4-one (95272-99-4)

Guidance literature:

With boric acid; In ethylene glycol; at 130 ℃; for 3h;

DOI:10.1016/j.bmcl.2010.07.090

Reference yield:

→ 2-(3,4-dihydroxy-phenyl)-5,7-dihydroxy-6,8-dimethyl-chroman-4-one (95272-99-4)

Guidance literature:

With sulfuric acid;

Reference yield:

2,4-dimethylbenzene-1,3,5-triol (4463-02-9) → 2-(3,4-dihydroxy-phenyl)-5,7-dihydroxy-6,8-dimethyl-chroman-4-one (95272-99-4)

Guidance literature:

With aluminium trichloride; nitrobenzene;

upstream raw materials:

2,4-dimethylbenzene-1,3,5-triol

1-(2,4,6-trihydroxy-3,5-dimethylphenyl)ethan-1-one

3,4-dihydroxybenzaldehyde

Downstream raw materials:

2-(3,4-dimethoxy-phenyl)-5-hydroxy-7-methoxy-6,8-dimethyl-chroman-4-one

5,7-diacetoxy-2-(3,4-diacetoxy-phenyl)-6,8-dimethyl-chroman-4-one