Pilloin

Base Information

• Chemical Name: Pilloin
• CAS No.: 32174-62-2
• Molecular Formula: C17H14 O6
• Molecular Weight: 314.295
• Hs Code.: 2914509090
• NSC Number: 195196
• DSSTox Substance ID: DTXSID30185955
• Nikkaji Number: J20.397A
• Wikidata: Q83057131
• Metabolomics Workbench ID: 24140
• ChEMBL ID: CHEMBL483424
• Mol file: 32174-62-2.mol

Synonyms:3',5-dihydroxy-4',7-dimethoxyflavone;pilloin

Chemical Property of Pilloin

Chemical Property:

• Vapor Pressure: 1.41E-13mmHg at 25°C
• Melting Point: 230-232℃ (Decomposition) (methanol )
• Boiling Point: 569.6°Cat760mmHg
• PKA: 6.33±0.40(Predicted)
• Flash Point: 213.9°C
• PSA: 89.13000
• Density: 1.402g/cm³
• LogP: 2.88840
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 314.07903816
• Heavy Atom Count: 23
• Complexity: 476

Purity/Quality:

99% ^*data from raw suppliers

Pilloin 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C(C=C1)C2=CC(=O)C3=C(C=C(C=C3O2)OC)O)O

Technology Process of Pilloin

There total 10 articles about Pilloin 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: 73.0%

2-(3,4-Dihydroxy-phenyl)-5,7-dihydroxy-chromen-4-on (491-70-3) + dimethyl sulfate (77-78-1) → pilloin (32174-62-2)

Guidance literature:

With potassium carbonate; In acetone; for 1h; Reflux;

DOI:10.1007/s11418-017-1169-3

Reference yield: 55.0%

diazomethane (186581-53-3,908094-01-9,334-88-3) + 2-(3,4-Dihydroxy-phenyl)-5,7-dihydroxy-chromen-4-on (491-70-3) → pilloin (32174-62-2) + 5-hydroxy-3',4',7-trimethoxyflavone (29080-58-8)

Guidance literature:

In methanol; diethyl ether; at 20 ℃; for 1h;

DOI:10.1248/cpb.50.788

Reference yield:

2-(3,4-dihydroxyphenyl)-5,7-dimethoxy-4H-chromen-4-one (90363-40-9) → 2-(3,4-dihydroxyphenyl)-7-hydroxy-5-methoxy-4H-chromen-4-one (58115-29-0) + 2-(3,4-Dihydroxy-phenyl)-5,7-dihydroxy-chromen-4-on (491-70-3) + 7-methylluteoline (20243-59-8) + pilloin (32174-62-2) + 2‐(4‐hydroxy‐3‐methoxyphenyl)‐5,7‐dimethoxy‐4H‐chromen‐4‐one (1239-68-5) + 3′-hydroxy-5,7,4′-trimethoxyflavone (33554-52-8)

Guidance literature:

at 300 ℃; for 0.0333333h; Mechanism; transmethylation reaction;

upstream raw materials:

2-(3,4-Dihydroxy-phenyl)-5,7-dihydroxy-chromen-4-on

methyl iodide

Luteolin-5,4'-dimethylether

2-(3,4-dihydroxyphenyl)-5,7-dimethoxy-4H-chromen-4-one

Downstream raw materials:

Isovanillic acid

luteolin 7,4'-dimethyl ether diacetate