1-(4-Hydroxy-3-nitrophenyl)propan-1-one

Base Information

• Chemical Name: 1-(4-Hydroxy-3-nitrophenyl)propan-1-one
• CAS No.: 50916-44-4
• Molecular Formula: C9H9 N O4
• Molecular Weight: 195.175
• Hs Code.: 2914700090
• NSC Number: 139710
• DSSTox Substance ID: DTXSID70300887
• Nikkaji Number: J767.307H
• Wikidata: Q82044301
• Mol file: 50916-44-4.mol

Synonyms:1-(4-hydroxy-3-nitrophenyl)propan-1-one;50916-44-4;3-nitro-4-hydroxypropiophenone;NSC139710;SCHEMBL21775014;DTXSID70300887;AKOS005145081;NSC-139710

Chemical Property of 1-(4-Hydroxy-3-nitrophenyl)propan-1-one

Chemical Property:

• Vapor Pressure: 0.000792mmHg at 25°C
• Melting Point: 65.4–66.2°C
• Boiling Point: 296.8°Cat760mmHg
• Flash Point: 128.2°C
• PSA: 83.12000
• Density: 1.321g/cm³
• LogP: 2.41630
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 195.05315777
• Heavy Atom Count: 14
• Complexity: 236

Purity/Quality:

98% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 1-(4-Hydroxy-3-nitrophenyl)propan-1-one

There total 5 articles about 1-(4-Hydroxy-3-nitrophenyl)propan-1-one 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: 69.3%

4-hydroxypropiophenone (70-70-2) → 1-(4-hydroxy-3-nitrophenyl)propan-1-one (50916-44-4)

Guidance literature:

With sulfuric acid; potassium nitrate; at 3 ℃; for 0.0666667h;

Reference yield:

propionyl chloride (79-03-8) + 2-hydroxynitrobenzene (88-75-5,78813-12-4) → 1-(4-hydroxy-3-nitrophenyl)propan-1-one (50916-44-4)

Guidance literature:

With aluminium trichloride; nitrobenzene;

DOI:10.1021/ja01209a050

Reference yield:

2-nitrophenyl propanoate (19686-49-8) → 1-(4-hydroxy-3-nitrophenyl)propan-1-one (50916-44-4)

Guidance literature:

With aluminium trichloride; nitrobenzene;

upstream raw materials:

2-nitrophenyl propanoate

propionyl chloride

2-hydroxynitrobenzene

4-hydroxypropiophenone

Downstream raw materials:

3'-amino-4'-hydroxypropiophenone

2-Bromo-4'-hydroxy-3'-nitropropiophenone

1-(2-Hydroxy-5-propionyl-phenyl)-3-methyl-urea

3'-(3-ethylureido)-4'-hydroxypropiophenone