7-Geranyloxy-6-methoxycoumarin

Base Information

• Chemical Name: 7-Geranyloxy-6-methoxycoumarin
• CAS No.: 28587-43-1
• Molecular Formula: C₂₀H₂₄O₄
• Molecular Weight: 328.408
• Hs Code.: 2932209090
• Nikkaji Number: J3.367.947E,J911.663J
• Metabolomics Workbench ID: 128398
• ChEMBL ID: CHEMBL2346913
• Mol file: 28587-43-1.mol

Synonyms:7-Geranyloxy-6-methoxycoumarin;28587-43-1;7-O-Geranylscopoletin;6-Methoxyaurapten;CHEMBL2346913;7-[(2E)-3,7-dimethylocta-2,6-dienoxy]-6-methoxychromen-2-one;(E)-7-((3,7-Dimethyl-2,6-octadienyl)oxy)-6-methoxy-2H-1-benzopyran-2-one;2H-1-Benzopyran-2-one, 7-((3,7-dimethyl-2,6-octadienyl)oxy)-6-methoxy-, (E)-;2H-1-Benzopyran-2-one, 7-[[(2E)-3,7-dimethyl-2,6-octadien-1-yl]oxy]-6-methoxy-;7-O-Geranyl-esculetin;SCHEMBL22922167;NLNMITFNBJXRRP-XNTDXEJSSA-N;HY-N2746;BDBM50490819;MS-24925;PD125384;CS-0023248;7-[(2E)-3,7-dimethylocta-2,6-dienoxy]-6-methoxy-chromen-2-one;7-(3,7-Dimethyl-2,6-octadiene-1-yloxy)-6-methoxy-2H-1-benzopyran-2-one

Chemical Property of 7-Geranyloxy-6-methoxycoumarin

Chemical Property:

• Melting Point: 87-88 °C
• Boiling Point: 487.1±45.0 °C(Predicted)
• PSA: 48.67000
• Density: 1.092±0.06 g/cm3(Predicted)
• LogP: 4.87310
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 328.16745924
• Heavy Atom Count: 24
• Complexity: 514

Purity/Quality:

≥98% ^*data from raw suppliers

7-O-Geranylscopoletin >97.0% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CCCC(=CCOC1=C(C=C2C=CC(=O)OC2=C1)OC)C)C
• Isomeric SMILES: CC(=CCC/C(=C/COC1=C(C=C2C=CC(=O)OC2=C1)OC)/C)C

Technology Process of 7-Geranyloxy-6-methoxycoumarin

There total 2 articles about 7-Geranyloxy-6-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: 89.0%

trans-geranyl bromide (6138-90-5) + 7-hydroxy-6-methoxy-2H-1-benzopyran-2-one (92-61-5) → 6-methoxy-7-geranyloxycoumarin (28587-44-2,28587-43-1)

Guidance literature:

With potassium carbonate; In acetone; for 15h; Heating;

Reference yield:

→ 6-methoxy-7-geranyloxycoumarin (28587-44-2,28587-43-1)

Guidance literature:

aus II;

upstream raw materials:

trans-geranyl bromide

7-hydroxy-6-methoxy-2H-1-benzopyran-2-one

Refernces

• 1、 Maes, Dominick,Van Syngel, Kris,De Kimpe, Norbert. "Synthesis of artekeiskeanin A: A new coumarin monoterpene ether from artemisia keiskeana (PII:S0385-5414(07)81299-8)". . p. 1020 - 1021. Retrieved 2008/09/21.