Nordalbergin

Base Information

• Chemical Name: Nordalbergin
• CAS No.: 482-82-6
• Molecular Formula: C15H10O4
• Molecular Weight: 254.242
• Hs Code.: 2932209090
• DSSTox Substance ID: DTXSID40415775
• Nikkaji Number: J13.176H
• Wikidata: Q82224761
• Pharos Ligand ID: XKAWZ8WRH751
• Metabolomics Workbench ID: 23011
• ChEMBL ID: CHEMBL1255818
• Mol file: 482-82-6.mol

Synonyms:6,7-dihydroxy-4-phenylcoumarin

Chemical Property of Nordalbergin

Chemical Property:

• Vapor Pressure: 1.57E-11mmHg at 25°C
• Melting Point: 244 °C
• Refractive Index: 1.698
• Boiling Point: 522.367 °C at 760 mmHg
• Flash Point: 205.152 °C
• PSA: 70.67000
• Density: 1.443 g/cm³
• LogP: 2.87120
• Storage Temp.: 2-8°C
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 254.05790880
• Heavy Atom Count: 19
• Complexity: 384

Purity/Quality:

≥98% ^*data from raw suppliers

6,7-Dihydroxy-4-phenyl-2H-chromen-2-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CC(=O)OC3=CC(=C(C=C23)O)O

Technology Process of Nordalbergin

There total 10 articles about Nordalbergin 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%

1,2,4-triacetoxybenzene (613-03-6) + ethyl 3-oxo-3-phenylpropionate (94-02-0) → nordalbergin (482-82-6)

Guidance literature:

With perchloric acid; at 20 ℃;

DOI:10.1039/c5ra06070b

Reference yield: 75.0%

1,2,4-Trihydroxybenzene (533-73-3) + ethyl 3-oxo-3-phenylpropionate (94-02-0) → nordalbergin (482-82-6)

Guidance literature:

With sulfuric acid;

DOI:10.1021/acs.jced.5b00098

Reference yield: 68.0%

ethyl benzoyl acetate + 1,2,4-Trihydroxybenzene (533-73-3) → nordalbergin (482-82-6)

Guidance literature:

With sulfuric acid; at 20 ℃; for 96h;

DOI:10.3390/molecules22020321

upstream raw materials:

7-hydroxy-4-phenylcoumarin

1,2,4-triacetoxybenzene

ethyl 3-oxo-3-phenylpropionate

phenylpropynoic acid ethyl ester

Downstream raw materials:

6-Hydroxy-7-methoxy-4-phenyl-coumarin

(C₅H₅)2Ti(O₂C₉H₃O₂C₆H₅)

3-phenyl-3-(2,4,5-trimethoxy-phenyl)-acrylic acid

6,7-dimethoxy-4-phenyl-2H-chromen-2-one

Refernces

• 1、 Chatterjee et al.. "-". . p. 2407. Retrieved 1976.
• 2、 Olmedo, Dionisio A.,López-Pérez, José Luis,Del Olmo, Esther,Bedoya, Luis M.,Sancho, Rocío,Alcamí, José,Mu?oz, Eduardo,San Feliciano, Arturo,Gupta, Mahabir P.. "Neoflavonoids as inhibitors of HIV-1 replication by targeting the Tat and NF-κB pathways". . . Retrieved 2017/03/08.