4H-1-Benzopyran-4-one, 7-hydroxy-3-(2-nitrophenoxy)-

Base Information

• Chemical Name: 4H-1-Benzopyran-4-one, 7-hydroxy-3-(2-nitrophenoxy)-
• CAS No.: 137988-04-6
• Molecular Formula: C15H9NO6
• Molecular Weight: 299.2351
• DSSTox Substance ID: DTXSID40160430
• Wikidata: Q83028795
• Mol file: 137988-04-6.mol

Synonyms:BRN 5447019;4H-1-Benzopyran-4-one, 7-hydroxy-3-(2-nitrophenoxy)-;7-Hydroxy-3-(2-nitrophenoxy)-4H-1-benzopyran-4-one;137988-04-6;DTXSID40160430;LS-39719

Chemical Property of 4H-1-Benzopyran-4-one, 7-hydroxy-3-(2-nitrophenoxy)-

Chemical Property:

• Vapor Pressure: 7.44E-11mmHg at 25°C
• Boiling Point: 505.8°C at 760 mmHg
• Flash Point: 259.7°C
• Density: 1.535g/cm³
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 299.04298701
• Heavy Atom Count: 22
• Complexity: 485

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)[N+](=O)[O-])OC2=COC3=C(C2=O)C=CC(=C3)O

Technology Process of 4H-1-Benzopyran-4-one, 7-hydroxy-3-(2-nitrophenoxy)-

There total 3 articles about 4H-1-Benzopyran-4-one, 7-hydroxy-3-(2-nitrophenoxy)- 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: 94.6%

1-(2,4-Dihydroxy-phenyl)-2-(2-nitro-phenoxy)-ethanone (137987-91-8) + N,N-dimethyl-formamide (68-12-2,33513-42-7) → 7-Hydroxy-3-(2-nitro-phenoxy)-chromen-4-one (137988-04-6)

Guidance literature:

With boron trifluoride diethyl etherate; phosphorus trichloride; at 50 - 60 ℃;

DOI:10.1007/BF00767267

Reference yield:

2-(2-nitrophenoxy)acetonitrile (31507-30-9) → 7-Hydroxy-3-(2-nitro-phenoxy)-chromen-4-one (137988-04-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) HCl, 2.) zinc chloride, HCl, 3.) water

2: 94.6 percent / boron trifluoride etherate, phosphorus trichloride / 50 - 60 °C

With hydrogenchloride; boron trifluoride diethyl etherate; water; zinc(II) chloride; phosphorus trichloride;

DOI:10.1007/BF00767267

Reference yield:

recorcinol (108-46-3) → 7-Hydroxy-3-(2-nitro-phenoxy)-chromen-4-one (137988-04-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 1.) HCl, 2.) zinc chloride, HCl, 3.) water

2: 94.6 percent / boron trifluoride etherate, phosphorus trichloride / 50 - 60 °C

With hydrogenchloride; boron trifluoride diethyl etherate; water; zinc(II) chloride; phosphorus trichloride;

DOI:10.1007/BF00767267

upstream raw materials:

1-(2,4-Dihydroxy-phenyl)-2-(2-nitro-phenoxy)-ethanone

N,N-dimethyl-formamide

2-(2-nitrophenoxy)acetonitrile

recorcinol

Downstream raw materials:

Acetic acid 3-(2-nitro-phenoxy)-4-oxo-4H-chromen-7-yl ester