5,7-Dihydroxy-8-propionyl-4-propyl-2H-chromen-2-one

Base Information

• Chemical Name: 5,7-Dihydroxy-8-propionyl-4-propyl-2H-chromen-2-one
• CAS No.: 166983-58-0
• Molecular Formula: C15H16O5
• European Community (EC) Number: 605-458-0
• DSSTox Substance ID: DTXSID40420541
• Wikidata: Q82231837

Synonyms:5,7-Dihydroxy-8-propionyl4-propylcoumarin;5,7-Dihydroxy-8-propionyl-4-propyl-2H-chromen-2-one;166983-58-0;SCHEMBL5914896;DTXSID40420541;HLIXWNXSLCQZJO-UHFFFAOYSA-N;4-propyl-5,7-dihydroxy-8-propionylcoumarin;5,7-Dihydroxy-8-propionyl-4-propylcoumarin;5,7-dihydroxy-8-propionyl-4 propyl-coumarin;5,7-dihydroxy-8-propanoyl-4-propyl-chromen-2-one

Chemical Property of 5,7-Dihydroxy-8-propionyl-4-propyl-2H-chromen-2-one

Chemical Property:

• Vapor Pressure: 1.45E-11mmHg at 25°C
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 276.09977361
• Heavy Atom Count: 20
• Complexity: 428

Purity/Quality:

99.90% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC1=CC(=O)OC2=C1C(=CC(=C2C(=O)CC)O)O

Technology Process of 5,7-Dihydroxy-8-propionyl-4-propyl-2H-chromen-2-one

There total 11 articles about 5,7-Dihydroxy-8-propionyl-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: 91.0%

5,7-dihydroxy-4-propylcoumarin (66346-59-6) + propionic acid anhydride (123-62-6) → 5,7-Dihydroxy-8-propanoyl-4-propyl-2H-1-benzopyran-2-one (166983-58-0)

Guidance literature:

5,7-dihydroxy-4-propylcoumarin; With aluminum (III) chloride; In nitromethane; at 90 ℃; for 0.25h;

propionic acid anhydride; In nitromethane; at 90 ℃; for 1h; Reagent/catalyst; Solvent; Temperature;

DOI:10.1021/op0002038

Reference yield: 32.0%

5,7-dihydroxy-4-propylcoumarin (66346-59-6) → 5,7-Dihydroxy-8-propanoyl-4-propyl-2H-1-benzopyran-2-one (166983-58-0)

Guidance literature:

With aluminum (III) chloride; In 1,2-dichloro-ethane; at 70 - 75 ℃; for 3h;

Reference yield: 16.0%

5,7-dihydroxy-4-propylcoumarin (66346-59-6) + propionyl chloride (79-03-8) → 5,7-Dihydroxy-8-propanoyl-4-propyl-2H-1-benzopyran-2-one (166983-58-0) + 5,7-dihydroxy-6-propionyl-4-propylcoumarin + 5,7-dihydroxy-6,8-dipropionyl-4-propylcoumarin

Guidance literature:

With aluminium trichloride; In carbon disulfide; nitrobenzene;

DOI:10.1021/jm950797i

upstream raw materials:

5,7-dihydroxy-4-propylcoumarin

propionic acid anhydride

propionyl chloride

3,5-dihydroxyphenol

Downstream raw materials:

(+/-)-Calanolide D

(+/-)-12-oxocalanolide A

(+)-calanolide A

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