CID 125157

Base Information

• Chemical Name: CID 125157
• CAS No.: 94441-99-3
• Molecular Formula: C17H16 O5
• Molecular Weight: 300.311
• European Community (EC) Number: 305-324-9
• Wikidata: Q105187178,Q105187179
• Mol file: 94441-99-3.mol

Synonyms:(E)-2',6'-Dihydroxy-4,4'-dimethoxychalcone;FT-0638022

Chemical Property of CID 125157

Chemical Property:

• Boiling Point: 556°Cat760mmHg
• Flash Point: 207.2°C
• PSA: 75.99000
• Density: 1.279g/cm³
• LogP: 3.01110
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 300.09977361
• Heavy Atom Count: 22
• Complexity: 375

Purity/Quality:

99% ^*data from raw suppliers

2',6'-Dihydroxy-4,4'-dimethoxychalcone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)C=CC(=O)C2=C(C=C(C=C2O)OC)O

Technology Process of CID 125157

There total 1 articles about CID 125157 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: 69.0%

naringenin-4',7-dimethyl ether (29424-96-2,102101-05-3,120851-84-5,137329-43-2,13238-06-7) → 1-(2,6-dihydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one (94441-99-3)

Guidance literature:

With chloro-trimethyl-silane; In dichloromethane; at 20 ℃; for 72h;

DOI:10.1002/ejoc.200700682

Reference yield:

1-(2,6-dihydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one (94441-99-3) → naringenin 4',7-dimethyl ether (13238-06-7) + naringenin 4',7-dimethyl ether (13238-06-7)

Guidance literature:

With Quinine; In chlorobenzene; at 20 ℃; for 70h; Title compound not separated from byproducts.;

DOI:10.1002/ejoc.200700682

Reference yield:

1-(2,6-dihydroxy-4-methoxyphenyl)-3-(4-methoxyphenyl)prop-2-en-1-one (94441-99-3) → naringenin-4',7-dimethyl ether (29424-96-2,102101-05-3,120851-84-5,137329-43-2,13238-06-7)

Guidance literature:

In ethanol; water; at 30 ℃; Rate constant; variation of pH; solvent isotope effect in D₂O;

DOI:10.1039/P29850001639

upstream raw materials:

naringenin-4',7-dimethyl ether

Downstream raw materials:

naringenin-4',7-dimethyl ether

naringenin 4',7-dimethyl ether

naringenin 4',7-dimethyl ether

Refernces

• 1、 Miles, Christopher O.,Main, Lyndsay. "Kinetics and Mechanism of the Cyclisation of 2',6'-Dihydroxy-4,4'-dimethoxychalcone; Influence of the 6'-Hydroxy Group on the Rate of Cyclisation under Neutral Conditions". . p. 1639 - 1642. Retrieved 2007/10/02.