1-(2,4-Dihydroxy-3-nitrophenyl)ethanone

Base Information

• Chemical Name: 1-(2,4-Dihydroxy-3-nitrophenyl)ethanone
• CAS No.: 89684-58-2
• Molecular Formula: C8H7NO5
• Molecular Weight: 197.147
• DSSTox Substance ID: DTXSID50536001
• Wikidata: Q82410493
• Mol file: 89684-58-2.mol

Synonyms:1-(2,4-Dihydroxy-3-nitrophenyl)ethanone;89684-58-2;1-(2,4-Dihydroxy-3-nitrophenyl)ethan-1-one;SCHEMBL1559789;DTXSID50536001;UIRUEYNZXBZBDK-UHFFFAOYSA-N;MFCD22573654;AKOS016000435;AC-31677;AS-36586;A861092

Chemical Property of 1-(2,4-Dihydroxy-3-nitrophenyl)ethanone

Chemical Property:

• Melting Point: 102 °C
• Boiling Point: 273.8±35.0 °C(Predicted)
• PKA: 3.19±0.20(Predicted)
• PSA: 103.35000
• Density: 1.520±0.06 g/cm3(Predicted)
• LogP: 1.73180
• Storage Temp.: 2-8°C
• XLogP3: 2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 197.03242232
• Heavy Atom Count: 14
• Complexity: 249

Purity/Quality:

97% ^*data from raw suppliers

1-(2,4-Dihydroxy-3-nitrophenyl)ethanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(2,4-Dihydroxy-3-nitrophenyl)ethanone

There total 7 articles about 1-(2,4-Dihydroxy-3-nitrophenyl)ethanone 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: 95.0%

2-nitroresorcinol (601-89-8) + acetic anhydride (108-24-7) → 1-(2,4-dihydroxy-3-nitrophenyl)ethanone (89684-58-2)

Guidance literature:

With aluminum (III) chloride; In nitrobenzene; at 100 ℃; for 5h; Inert atmosphere;

DOI:10.1021/acsmedchemlett.5b00124

Reference yield: 72.0%

2-nitroresorcinol (601-89-8) + acetic acid (64-19-7,77671-22-8) → 1-(2,4-dihydroxy-3-nitrophenyl)ethanone (89684-58-2)

Guidance literature:

With PPA; at 70 - 80 ℃; for 2h;

DOI:10.1021/jo060452f

Reference yield:

2',4'-dihydroxy-4-acetophenone (89-84-9) → 1-(2,4-dihydroxy-3-nitrophenyl)ethanone (89684-58-2)

Guidance literature:

With ammonium cerium(IV) nitrate; In acetic acid; Heating;

upstream raw materials:

2-nitroresorcinol

acetic anhydride

5-acetyl-2,4-dihydroxy-3-nitro-benzoic acid

acetic acid

Downstream raw materials:

2',4'-dihydroxy-3,3'-dinitro-trans-chalcone

1-(2,4-dihydroxy-3-nitro-phenyl)-3t-[2]naphthyl-propenone

1-(2-hydroxy-4-methoxy-3-nitrophenyl)ethanone

1-(4-(benzyloxy)-2-hydroxy-3-nitrophenyl)ethanone

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