Coumarin

Base Information

• Chemical Name: Coumarin
• CAS No.: 15938-72-4
• Molecular Formula: C28H22 O9
• Molecular Weight: 502.477
• Mol file: 15938-72-4.mol

Synonyms:Coumarin,3,3'-(3,4,5-trimethoxybenzylidene)bis[4-hydroxy- (8CI); NCI 126763; NSC 126763

Chemical Property of Coumarin

Chemical Property:

• Boiling Point: 666.2°Cat760mmHg
• Flash Point: 223.2°C
• PSA: 128.57000
• Density: 1.461g/cm³
• LogP: 4.51660

Purity/Quality:

3,3'-(3,4,5-TRIMETHOXYBENZYLIDENE)BIS(4-HYDROXYCOUMARIN) Aldrich ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Technology Process of Coumarin

There total 2 articles about Coumarin 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: 94.0%

4-hydroxy[1]benzopyran-2-one (1076-38-6,92395-12-5) + 3,4,5-trimethoxy-benzaldehyde (86-81-7) → 4-hydroxy-3-[(4-hydroxy-2-oxo-2H-chromen-3-yl)-(3,4,5-trimethoxy-phenyl)-methyl]-chromen-2-one (15938-72-4)

Guidance literature:

With sulfated titania; In water; at 80 ℃; for 0.2h;

DOI:10.1016/j.tetlet.2012.06.024

Reference yield: 91.0%

4‐hydroxycoumarin (22105-09-5) + 3,4,5-trimethoxy-benzaldehyde (86-81-7) → 4-hydroxy-3-[(4-hydroxy-2-oxo-2H-chromen-3-yl)-(3,4,5-trimethoxy-phenyl)-methyl]-chromen-2-one (15938-72-4)

Guidance literature:

With (1S)-(+)-10-camphorsulfonic acid; In ethanol; water; at 27 - 30 ℃; for 2.5h;

DOI:10.1080/00397911.2020.1856877

Reference yield: 70.0%

4-hydroxy-3-[(4-hydroxy-2-oxo-2H-chromen-3-yl)-(3,4,5-trimethoxy-phenyl)-methyl]-chromen-2-one (15938-72-4) → 7-(3,4,5-trimethoxy-phenyl)-4aH-pyrano[3,2-c:5,6-c']dichromene-6,8-dione (375359-23-2)

Guidance literature:

With acetic anhydride; for 2h; Heating;

DOI:10.1016/j.ejmech.2008.03.038

upstream raw materials:

4-hydroxy[1]benzopyran-2-one

3,4,5-trimethoxy-benzaldehyde

4‐hydroxycoumarin

Downstream raw materials:

7-(3,4,5-trimethoxy-phenyl)-4aH-pyrano[3,2-c:5,6-c']dichromene-6,8-dione

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