7-hydroxy-4-propyl-2H-chromen-2-one

Base Information

• Chemical Name: 7-hydroxy-4-propyl-2H-chromen-2-one
• CAS No.: 19225-02-6
• Molecular Formula: C12H12O3
• Molecular Weight: 204.225
• Hs Code.: 2932990090
• European Community (EC) Number: 822-130-4
• DSSTox Substance ID: DTXSID70172804
• Wikidata: Q83042886
• Pharos Ligand ID: 7P2MZPL9Q8FV
• ChEMBL ID: CHEMBL605407
• Mol file: 19225-02-6.mol

Synonyms:7-hydroxy-4-propyl-2H-chromen-2-one;19225-02-6;7-hydroxy-4-propylchromen-2-one;2H-1-Benzopyran-2-one, 7-hydroxy-4-propyl-;Coumarin, 7-hydroxy-4-propyl-;BRN 0169757;CHEMBL605407;MFCD00052608;4-18-00-00398 (Beilstein Handbook Reference);2H-1-Benzopyran-2-one,7-hydroxy-4-propyl-;Maybridge1_006977;Oprea1_576479;SCHEMBL536846;HMS561F03;DTXSID70172804;7-hydroxy-4-propyl-chromen-2-one;BBL028046;BDBM50305309;STL370306;AKOS001044576;LS-55244;VS-08654;CS-0309260;EU-0039257;FT-0621424;UNM000000560401;EN300-17152;AB00095799-01;7-Hydroxy-4-propyl-2H-chromen-2-one, AldrichCPR;A813549;SR-01000442865;SR-01000442865-1;Z56895685;F0398-0097

Chemical Property of 7-hydroxy-4-propyl-2H-chromen-2-one

Chemical Property:

• Vapor Pressure: 1.14E-06mmHg at 25°C
• Melting Point: 135-137 °C
• Refractive Index: 1.577
• Boiling Point: 390.9 °C at 760 mmHg
• Flash Point: 173.7 °C
• PSA: 50.44000
• Density: 1.218 g/cm³
• LogP: 2.45110
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 204.078644241
• Heavy Atom Count: 15
• Complexity: 283

Purity/Quality:

97% ^*data from raw suppliers

7-Hydroxy-4-propyl-2H-chromen-2-one ^*data from reagent suppliers

Safty Information:

• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC1=CC(=O)OC2=C1C=CC(=C2)O

Technology Process of 7-hydroxy-4-propyl-2H-chromen-2-one

There total 8 articles about 7-hydroxy-4-propyl-2H-chromen-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: 97.0%

ethyl butyroyl acetate (3249-68-1) + recorcinol (108-46-3) → 4-propyl-umbelliferone (19225-02-6)

Guidance literature:

With perchloric acid; at 20 ℃;

DOI:10.1016/j.ejmech.2011.05.052

Reference yield: 76.6%

ethyl 2-formylpentanoate (36873-43-5) + recorcinol (108-46-3) → 4-propyl-umbelliferone (19225-02-6)

Guidance literature:

With sulfuric acid; at 0 ℃;

DOI:10.3390/molecules24214003

Reference yield: 75.0%

ethyl hexa-2,3-dienoate (131431-64-6,113644-17-0) + recorcinol (108-46-3) → 4-propyl-umbelliferone (19225-02-6)

Guidance literature:

With trifluorormethanesulfonic acid; In 1,2-dichloro-ethane; at 100 ℃; for 3h;

DOI:10.1021/jo301086k

upstream raw materials:

ethyl butyroyl acetate

recorcinol

ethyl hexa-2,3-dienoate

ethyl propanoylacetate

Downstream raw materials:

C₁₅H₁₆O₅

4'-methyl-4-propylpsoralen

C₁₉H₁₆O₄

7-[3-(4-Phenyl-1-piperazinyl)propoxy]-4-propyl-2H-1-benzopyran-2-one