Corymbosin

Base Information

• Chemical Name: Corymbosin
• CAS No.: 18103-41-8
• Molecular Formula: C19H18O7
• Molecular Weight: 358.348
• DSSTox Substance ID: DTXSID701347298
• Nikkaji Number: J40.286I
• Wikidata: Q63392823
• Metabolomics Workbench ID: 24152
• ChEMBL ID: CHEMBL511257
• Mol file: 18103-41-8.mol

Synonyms:corymbosin

Chemical Property of Corymbosin

Chemical Property:

• Melting Point: 195-196 °C(Solv: ethanol (64-17-5))
• Boiling Point: 561.1±50.0 °C(Predicted)
• PKA: 6.31±0.40(Predicted)
• PSA: 87.36000
• Density: 1.309±0.06 g/cm3(Predicted)
• LogP: 3.20000
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 358.10525291
• Heavy Atom Count: 26
• Complexity: 520

Purity/Quality:

≥98% ^*data from raw suppliers

Corymbosin 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC(=C2C(=C1)OC(=CC2=O)C3=CC(=C(C(=C3)OC)OC)OC)O

Technology Process of Corymbosin

There total 9 articles about Corymbosin 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: 77.0%

5,7-Dimethoxy-2-(3,4,5-trimethoxyphenyl)-4H-chromen-4-one (53350-26-8) → 5-hydroxy-7-methoxy-2-(3',4',5'-trimethoxyphenyl)-4H-chromen-4-one (18103-41-8)

Guidance literature:

With aluminum (III) chloride; In acetonitrile; at 0 ℃; Inert atmosphere; Reflux;

DOI:10.1055/s-0036-1591773

Reference yield:

2,4,6-trihydroxyacetophenone (480-66-0,67471-34-5) → 5-hydroxy-7-methoxy-2-(3',4',5'-trimethoxyphenyl)-4H-chromen-4-one (18103-41-8)

Guidance literature:

Multi-step reaction with 3 steps

1.1: anhydr. K₂CO₃ / acetone / 0.5 h / 50 - 60 °C

2.1: pyridine / 12 h / 70 - 75 °C / Heating

2.2: powdered KOH / pyridine / 5 h / 60 - 70 °C

2.3: 50 percent / cc. H₂SO₄ / acetic acid / 5 h / 60 - 70 °C / Heating

3.1: 20 percent / AlBr₃ / acetonitrile / 5 h / 20 °C

With aluminum tri-bromide; potassium carbonate; In pyridine; acetone; acetonitrile; 2.1: Baker-Venkataraman synthesis;

DOI:10.1002/jhet.5570390620

Reference yield:

(E)-1-(2′-hydroxy-4′,6′-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one (53350-27-9) → 5-hydroxy-7-methoxy-2-(3',4',5'-trimethoxyphenyl)-4H-chromen-4-one (18103-41-8)

Guidance literature:

With hydrogenchloride; aluminium trichloride; iodine; Yield given. Multistep reaction;

upstream raw materials:

5,7-dihydroxy-3',4',5'-trimethoxyflavone

dimethyl sulfate

(E)-1-(2′-hydroxy-4′,6′-dimethoxyphenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one

5,7-Dimethoxy-2-(3,4,5-trimethoxyphenyl)-4H-chromen-4-one

Downstream raw materials:

5-Methoxy-2-[5-(3,4,5-trimethoxy-phenyl)-1H-pyrazol-3-yl]-benzene-1,3-diol

3′,4′,5,5′,7,8-hexahydroxyflavone hexamethyl ether

3',4',5',5,6,7-hexahydroxyflavone

5,8-dihydroxy-7-methoxy-2-(3,4,5-trimethoxy-phenyl)-chromen-4-one

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