Pedicellin

Base Information

• Chemical Name: Pedicellin
• CAS No.: 518-58-1
• Molecular Formula: C₂₀H₂₂O₆
• Molecular Weight: 358.391
• Hs Code.: 2914509090
• NSC Number: 255994
• UNII: 7Y8622K9HX
• Nikkaji Number: J11.684J
• Wikidata: Q76313123
• Metabolomics Workbench ID: 26838
• ChEMBL ID: CHEMBL1998453
• Mol file: 518-58-1.mol

Synonyms:PEDICELLIN;518-58-1;NSC 255994;2-Propen-1-one, 1-(pentamethoxyphenyl)-3-phenyl-, (E)-;(E)-1-(Pentamethoxyphenyl)-3-phenyl-2-propen-1-one;NSC-255994;Pedicellin (chalcone);SCHEMBL1201269;CHEMBL1998453;7Y8622K9HX;LMPK12120363;NSC255994;Chalcone, 2',3',4',5',6'-pentamethoxy-;2-Propen-1-one, 1-(pentamethoxyphenyl)-3-phenyl-;1-(2,3,4,5,6-pentamethoxyphenyl)-3-phenylprop-2-en-1-one;80405-09-0

Chemical Property of Pedicellin

Chemical Property:

• Vapor Pressure: 1.12E-11mmHg at 25°C
• Boiling Point: 538.8°Cat760mmHg
• Flash Point: 236.1°C
• PSA: 63.22000
• Density: 1.156g/cm³
• LogP: 3.62570
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 8
• Exact Mass: 358.14163842
• Heavy Atom Count: 26
• Complexity: 439

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=C(C(=C(C(=C1OC)OC)OC)OC)C(=O)C=CC2=CC=CC=C2
• Isomeric SMILES: COC1=C(C(=C(C(=C1OC)OC)OC)OC)C(=O)/C=C/C2=CC=CC=C2

Technology Process of Pedicellin

There total 6 articles about Pedicellin 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:

kanakugiol (57499-44-2) + methyl iodide (74-88-4) → 2'.3'.4'.5'.6'-pentamethoxy-trans-chalcone (518-58-1)

Guidance literature:

With potassium carbonate; In acetone;

DOI:10.1016/S0031-9422(97)00947-3

Reference yield:

diazomethane (186581-53-3,908094-01-9,334-88-3) + 3'-hydroxy-2',4',5',6'-tetramethoxychalcone (80405-08-9) → 2'.3'.4'.5'.6'-pentamethoxy-trans-chalcone (518-58-1)

Guidance literature:

In diethyl ether;

DOI:10.1016/S0031-9422(00)98577-7

Reference yield:

dimethyl sulfate (77-78-1) → 2'.3'.4'.5'.6'-pentamethoxy-trans-chalcone (518-58-1)

Guidance literature:

With potassium carbonate; acetone;

upstream raw materials:

diazomethane

3'-hydroxy-2',4',5',6'-tetramethoxychalcone

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

benzaldehyde

Downstream raw materials:

2',5'-dihydroxy-4'-methoxy-3',6'-dioxochalcone

5-hydroxy-6,7,8-trimethoxy-flavanone

6,7-dimethoxy-5,8-quinoflavanone

5,8-dihydroxy-6,7-dimethoxyflavanone

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