2H-1-Benzopyran-2-one, 5-hydroxy-

Base Information

• Chemical Name: 2H-1-Benzopyran-2-one, 5-hydroxy-
• CAS No.: 6093-67-0
• Molecular Formula: C9H6O3
• Molecular Weight: 162.145
• Hs Code.: 2932209090
• DSSTox Substance ID: DTXSID60209759
• Nikkaji Number: J419.092K
• Wikidata: Q83084177
• ChEMBL ID: CHEMBL452422
• Mol file: 6093-67-0.mol

Synonyms:5-Hydroxycoumarin;2H-1-Benzopyran-2-one, 5-hydroxy-;6093-67-0;5-hydroxychromen-2-one;5-Hydroxy-2H-1-benzopyran-2-one;5-hydroxy-2H-chromen-2-one;32942-76-0;Coumarin, 5-hydroxy-;SCHEMBL450134;CHEMBL452422;SCHEMBL8491671;DTXSID60209759;CDHSCTCRBLLCBJ-UHFFFAOYSA-N;CHEBI:193449;AKOS025399392

Chemical Property of 2H-1-Benzopyran-2-one, 5-hydroxy-

Chemical Property:

• Vapor Pressure: 1.21E-05mmHg at 25°C
• Refractive Index: 1.64
• Boiling Point: 358.672 °C at 760 mmHg
• Flash Point: 168.723 °C
• PSA: 50.44000
• Density: 1.403 g/cm³
• LogP: 1.49860
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 162.031694049
• Heavy Atom Count: 12
• Complexity: 222

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C2C=CC(=O)OC2=C1)O

Technology Process of 2H-1-Benzopyran-2-one, 5-hydroxy-

There total 17 articles about 2H-1-Benzopyran-2-one, 5-hydroxy- 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: 90.0%

2,6-dihydroxybenzaldehyde (387-46-2) + ethyl (triphenylphosphoranylidene)acetate (1099-45-2) → 5-hydroxycoumarin (6093-67-0)

Guidance literature:

2,6-dihydroxybenzaldehyde; ethyl (triphenylphosphoranylidene)acetate; at 20 ℃; for 2h;

Reflux;

DOI:10.1002/cmdc.201000210

Reference yield: 89.0%

→ 5-hydroxycoumarin (6093-67-0)

Guidance literature:

Reference yield: 84.0%

5-methoxycoumarin (51559-36-5) → 5-hydroxycoumarin (6093-67-0)

Guidance literature:

With boron tribromide; In dichloromethane; at -78 - 20 ℃;

DOI:10.1016/j.bmcl.2008.08.102

upstream raw materials:

5-methoxycoumarin

2-oxo-2H-chromen-5-yl acetate

5-hydroxycoumarin-3-carboxylic acid

2,6-dihydroxybenzaldehyde

Downstream raw materials:

5-<(E)-3-(4,5-dihydro-5,5-dimethyl-4-oxo-2-furanyl)-2-butenyloxy>-coumarin

(Z)-4-(o-hydroxyphenyl)-2-methylbut-3-en-2-ol

coumarin-5-oxybutyric acid N-hydroxysuccinimide ester

coumarin-5-oxybutyric acid