7-Prenyloxycoumarin

Base Information

• Chemical Name: 7-Prenyloxycoumarin
• CAS No.: 10387-50-5
• Molecular Formula: C14H14 O3
• Molecular Weight: 230.263
• NSC Number: 267697
• DSSTox Substance ID: DTXSID50313213
• Nikkaji Number: J260.964I
• Wikidata: Q72485498
• Metabolomics Workbench ID: 123646
• ChEMBL ID: CHEMBL156692

Synonyms:7-Prenyloxycoumarin;10387-50-5;NSC267697;7-Prenylumbelliferone;7-O-Prenylumbelliferone;7-(3-methylbut-2-enoxy)chromen-2-one;CHEMBL156692;7-((3-Methylbut-2-en-1-yl)oxy)-2H-chromen-2-one;DIMETHYLALLYLUMBELLIFERONE, 0-;7-[(3-methylbut-2-en-1-yl)oxy]-2H-chromen-2-one;7-(Prenyloxy)coumarin;MLS001049095;SCHEMBL4898255;DTXSID50313213;HMS2271J13;7-(3,3-Dimethylallyloxy)Coumarin;HY-N7023;BDBM50361372;STK921054;7-(3-Methyl-2-butenyloxy) coumarin;AKOS001064505;NSC 267697;NSC-267697;MS-23306;SMR000386928;7-(3-METHYL-2-BUTENYLOXY)COUMARIN;CS-0101590;FT-0775302;E88582;7-[(3-methyl-2-butenyl)oxy]-2H-chromen-2-one;SR-01000234416;SR-01000234416-1;Z54658723

Chemical Property of 7-Prenyloxycoumarin

Chemical Property:

• Vapor Pressure: 2.56E-06mmHg at 25°C
• Boiling Point: 390.9°Cat760mmHg
• Flash Point: 164.9°C
• Density: 1.148g/cm³
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 230.094294304
• Heavy Atom Count: 17
• Complexity: 339

Purity/Quality:

Analysis control,98.0% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CCOC1=CC2=C(C=C1)C=CC(=O)O2)C

Technology Process of 7-Prenyloxycoumarin

There total 6 articles about 7-Prenyloxycoumarin 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-hydroxy-2H-chromen-2-one (93-35-6) → 7-prenyloxycoumarin (10387-50-5)

Guidance literature:

With potassium carbonate; In acetone; at 80 ℃; for 1h;

DOI:10.1016/j.bioorg.2018.11.044

Reference yield: 94.0%

7-hydroxy-2H-chromen-2-one (93-35-6) + prenyl bromide (870-63-3) → 7-prenyloxycoumarin (10387-50-5)

Guidance literature:

With potassium carbonate; In acetone; Heating;

DOI:10.1039/b601096b

Reference yield: 78.0%

7-hydroxy-2H-chromen-2-one (93-35-6) + 3-methyl-2-buten-1-ol (556-82-1) → 7-prenyloxycoumarin (10387-50-5)

Guidance literature:

With triphenylphosphine; diethylazodicarboxylate; In tetrahydrofuran; at 20 ℃; for 20h;

upstream raw materials:

7-hydroxy-2H-chromen-2-one

prenyl bromide

3-methyl-2-buten-1-ol

dimethylallyl diphosphate

Downstream raw materials:

7-(2',3'-epoxy-3-methylbutoxy)-coumarin

geiparvarin

7-hydroxy-2H-chromen-2-one

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