Atalantoflavone

Base Information

• Chemical Name: Atalantoflavone
• CAS No.: 119309-02-3
• Molecular Formula: C20H16 O5
• Molecular Weight: 336.344
• UNII: X9PW4WPE82
• ChEMBL ID: CHEMBL465808
• DSSTox Substance ID: DTXSID701316885
• Metabolomics Workbench ID: 23505
• Nikkaji Number: J1.680.653F
• Wikidata: Q72444029
• Mol file: 119309-02-3.mol

Synonyms:atalantoflavone;119309-02-3;Limonianin;5-hydroxy-2-(4-hydroxyphenyl)-8,8-dimethylpyrano[2,3-h]chromen-4-one;starbld0000825;X9PW4WPE82;CHEMBL465808;CHEBI:175275;DTXSID701316885;HY-N2906;LMPK12110420;AKOS040761385;FS-9509;5-Hydroxy-2-(4-hydroxyphenyl)-8,8-dimethyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one;CS-0023501;F93998;5,4'-Dihydroxy-7,8-(2,2-dimethylpyrano)flavone;2-(4-hydroxyphenyl)-8,8-dimethyl-5-oxidanyl-pyrano(2,3-h)chromen-4-one;5-hydroxy-2-(4-hydroxyphenyl)-8,8-dimethyl-pyrano[2,3-h]chromen-4-one;4H,8H-Benzo[1,2-b:3,4-b']dipyran-4-one, 5-hydroxy-2-(4-hydroxyphenyl)-8,8-dimethyl-;5-Hydroxy-2-(4-hydroxyphenyl)-8,8-dimethyl-4H,8H-benzo[1,2-b:3,4-b']dipyran-4-one, 9CI;5-HYDROXY-2-(4-HYDROXYPHENYL)-8,8-DIMETHYL-4H,8H-PYRANO[2,3-F]CHROMEN-4-ONE

Chemical Property of Atalantoflavone

Chemical Property:

• Melting Point: 285-293 °C
• Boiling Point: 584.1±50.0 °C(Predicted)
• PKA: 6.48±0.60(Predicted)
• PSA: 79.90000
• Density: 1.368±0.06 g/cm3(Predicted)
• LogP: 4.05540
• XLogP3: 3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 336.09977361
• Heavy Atom Count: 25
• Complexity: 599

Purity/Quality:

98% ^*data from raw suppliers

Atalantoflavone ≥98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C=CC2=C(O1)C=C(C3=C2OC(=CC3=O)C4=CC=C(C=C4)O)O)C

Technology Process of Atalantoflavone

There total 1 articles about Atalantoflavone 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: 42.0%

3,3-dimethyl acrylaldehyde (107-86-8) + 5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one (520-36-5) → 5-hydroxy-8-(4-hydroxyphenyl)-2,2-dimethyl-2H-pyrano[3,2-g]chromen-6one (57498-96-1) + 5,4'-dihydroxy-7,8-(2,2-dimethylpyrano)flavone (119309-02-3)

Guidance literature:

With calcium hydroxide; In methanol; at 18 ℃; for 72h;

DOI:10.1021/acs.jnatprod.9b00113

Reference yield: 80.0%

5,4'-dihydroxy-7,8-(2,2-dimethylpyrano)flavone (119309-02-3) + dimethyl sulfate (77-78-1) → 5-methoxy-2-(4-methoxyphenyl)-8,8-dimethyl-4H,8H-benzo[1,2-b:3,4-b’]dipyran-4-one (119309-04-5)

Guidance literature:

With potassium carbonate; In acetone; for 2.5h; Ambient temperature; Heating;

DOI:10.1016/0031-9422(88)80782-9

upstream raw materials:

3,3-dimethyl acrylaldehyde

5,7-dihydroxy-2-(4-hydroxyphenyl)-4H-1-benzopyran-4-one

Downstream raw materials:

5-methoxy-2-(4-methoxyphenyl)-8,8-dimethyl-4H,8H-benzo[1,2-b:3,4-b’]dipyran-4-one

Refernces