8-Hydroxy-7-methoxycoumarin

Base Information

• Chemical Name: 8-Hydroxy-7-methoxycoumarin
• CAS No.: 19492-03-6
• Molecular Formula: C10H8 O4
• Molecular Weight: 192.171
• Hs Code.: 2932209090
• UNII: H43B8D33LB
• DSSTox Substance ID: DTXSID00173142
• Nikkaji Number: J82.870J
• Wikidata: Q72461390
• Metabolomics Workbench ID: 44509
• ChEMBL ID: CHEMBL4779645
• Mol file: 19492-03-6.mol

Synonyms:8-hydroxy-7-methoxy-2H-1-benzopyran-2-one

Chemical Property of 8-Hydroxy-7-methoxycoumarin

Chemical Property:

• Vapor Pressure: 2.23E-06mmHg at 25°C
• Melting Point: 176°C
• Boiling Point: 381.9°Cat760mmHg
• PKA: 7.78±0.20(Predicted)
• Flash Point: 158.3°C
• PSA: 59.67000
• Density: 1.377g/cm³
• LogP: 1.50720
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 192.04225873
• Heavy Atom Count: 14
• Complexity: 261

Purity/Quality:

98%,99%, ^*data from raw suppliers

8-Hydroxy-7-methoxycoumarin ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/37/38:Irritating to eyes, respiratory system and skin.
• Hazard Codes: R36/37/38:Irritating to eyes, respiratory system and skin.
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C2=C(C=C1)C=CC(=O)O2)O

Technology Process of 8-Hydroxy-7-methoxycoumarin

There total 22 articles about 8-Hydroxy-7-methoxycoumarin 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: 95.0%

7-methoxy-8-methoxymethoxy-2H-1-benzopyran-2-one (160820-51-9) → 8-hydroxy-7-methoxy-2H-chromen-2-one (19492-03-6)

Guidance literature:

With hydrogenchloride; In methanol; at 50 ℃; for 0.333333h;

DOI:10.3987/COM-00-S(I)40

Reference yield: 93.0%

3-methocycatechol (934-00-9) + Propiolic acid (471-25-0) → 8-hydroxy-7-methoxy-2H-chromen-2-one (19492-03-6)

Guidance literature:

With ytterbium(III) trifluoromethanesulfonate hydrate; at 80 ℃; for 0.0333333h; Reagent/catalyst; Microwave irradiation;

DOI:10.1016/j.tetlet.2016.05.087

Reference yield: 77.0%

7,8-dimethoxy-chromen-2-one (2445-80-9) → 8-hydroxy-7-methoxy-2H-chromen-2-one (19492-03-6)

Guidance literature:

With sulfuric acid; In water; at 70 ℃; for 144h;

DOI:10.1016/S0040-4020(01)91276-1

upstream raw materials:

diazomethane

8-acetoxy-7-hydroxycoumarin

7-methoxy-8-coumarinul methyl ketone

2,3-dihydroxy-4-methoxybenzaldehyde

Downstream raw materials:

7,8-dimethoxy-chromen-2-one

7-methoxy-8-[(3-methyl-2-butenyl)oxy]-2H-1-benzopyran-2-one

daphnetin