4-HYDROXY-3-[1'-(4''-HYDROXYPHENYL)-3'-OXOBUTYL]-2H-1-BENZOPYRAN-2-ONE

Base Information

• Chemical Name: 4-HYDROXY-3-[1'-(4''-HYDROXYPHENYL)-3'-OXOBUTYL]-2H-1-BENZOPYRAN-2-ONE
• CAS No.: 24579-14-4
• Molecular Formula: C19H16 O5
• Molecular Weight: 324.333
• Hs Code.: 2914501900
• Mol file: 24579-14-4.mol

Synonyms:Coumarin,3-(a-acetonyl-p-hydroxybenzyl)-4-hydroxy-(8CI); 4'-Hydroxywarfarin

Chemical Property of 4-HYDROXY-3-[1'-(4''-HYDROXYPHENYL)-3'-OXOBUTYL]-2H-1-BENZOPYRAN-2-ONE

Chemical Property:

• Vapor Pressure: 1E-11mmHg at 25°C
• Melting Point: 205-208°C
• Boiling Point: 522°Cat760mmHg
• Flash Point: 190.3°C
• PSA: 87.74000
• Density: 1.384g/cm³
• LogP: 3.31520
• Storage Temp.: 2-8°C
• Solubility.: DMSO: soluble

Purity/Quality:

98%min ^*data from raw suppliers

4’-HydroxyWarfarin ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn
• Statements: 22-41
• Safety Statements: 26-39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Uses: A minor CYP3A4 metabolite of S-Warfarin

Technology Process of 4-HYDROXY-3-[1'-(4''-HYDROXYPHENYL)-3'-OXOBUTYL]-2H-1-BENZOPYRAN-2-ONE

There total 3 articles about 4-HYDROXY-3-[1'-(4''-HYDROXYPHENYL)-3'-OXOBUTYL]-2H-1-BENZOPYRAN-2-ONE 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:

4-hydroxy[1]benzopyran-2-one (1076-38-6,92395-12-5) + 4-(4'-hydroxyphenyl)but-3-en-2-one (22214-30-8,59417-71-9,3160-35-8) → 4'-Hydroxywarfarin (24579-14-4)

Guidance literature:

With triethylamine; In water; for 8h; Heating;

DOI:10.1111/j.2042-7158.1987.tb06964.x

Reference yield:

warfarin (129-06-6) → 4'-Hydroxywarfarin (24579-14-4)

Guidance literature:

In water; for 6h; culture of Cunninghamella bainiery, pH 7 phosphate buffer;

DOI:10.1002/jps.2600780302

Reference yield:

warfarin (81-81-2) → 4'-Hydroxywarfarin (24579-14-4)

Guidance literature:

With culture of Cunninghamella bainieri; In water; for 144h; Product distribution; Ph₇ phosphate buffer; metabolism of warfarin to 4'-hydroxywarfarin using the fungus Cunninghamella bainiery, possible mechanism of aromatic hydroxylation, primary isotope effect; inhibition of hydroxylation by CO;

DOI:10.1002/jps.2600780302

upstream raw materials:

warfarin

4-hydroxy[1]benzopyran-2-one

4-(4'-hydroxyphenyl)but-3-en-2-one

warfarin

Refernces

• 1、 Obaseki,Coker. "The anticoagulant activity of some selected warfarin analogues". . p. 142 - 144. Retrieved 2007/10/02.