Ethanone, 1-(2,4-dihydroxyphenyl)-2-(2-nitrophenoxy)-

Base Information

• Chemical Name: Ethanone, 1-(2,4-dihydroxyphenyl)-2-(2-nitrophenoxy)-
• CAS No.: 137987-91-8
• Molecular Formula: C14H11NO6
• Molecular Weight: 289.2402
• DSSTox Substance ID: DTXSID60160417
• Wikidata: Q83028783
• Mol file: 137987-91-8.mol

Synonyms:BRN 5444813;1-(2,4-Dihydroxyphenyl)-2-(2-nitrophenoxy)ethanone;Ethanone, 1-(2,4-dihydroxyphenyl)-2-(2-nitrophenoxy)-;137987-91-8;DTXSID60160417;LS-67378

Chemical Property of Ethanone, 1-(2,4-dihydroxyphenyl)-2-(2-nitrophenoxy)-

Chemical Property:

• Vapor Pressure: 5.39E-13mmHg at 25°C
• Boiling Point: 556.6°Cat760mmHg
• Flash Point: 290.4°C
• Density: 1.46g/cm³
• XLogP3: 3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 4
• Exact Mass: 289.05863707
• Heavy Atom Count: 21
• Complexity: 382

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of Ethanone, 1-(2,4-dihydroxyphenyl)-2-(2-nitrophenoxy)-

There total 1 articles about Ethanone, 1-(2,4-dihydroxyphenyl)-2-(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:

2-(2-nitrophenoxy)acetonitrile (31507-30-9) + recorcinol (108-46-3) → 1-(2,4-Dihydroxy-phenyl)-2-(2-nitro-phenoxy)-ethanone (137987-91-8)

Guidance literature:

With hydrogenchloride; water; zinc(II) chloride; Yield given. Multistep reaction;

DOI:10.1007/BF00767267

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:

1-(2,4-Dihydroxy-phenyl)-2-(2-nitro-phenoxy)-ethanone (137987-91-8) → Acetic acid 3-(2-nitro-phenoxy)-4-oxo-4H-chromen-7-yl ester (137988-20-6)

Guidance literature:

Multi-step reaction with 2 steps

1: 94.6 percent / boron trifluoride etherate, phosphorus trichloride / 50 - 60 °C

2: 97.3 percent / pyridine / 0.05 h / Heating

With pyridine; boron trifluoride diethyl etherate; phosphorus trichloride;

DOI:10.1007/BF00767267

upstream raw materials:

2-(2-nitrophenoxy)acetonitrile

recorcinol

Downstream raw materials:

7-Hydroxy-3-(2-nitro-phenoxy)-chromen-4-one

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