1-(2-Hydroxy-5-nitrophenyl)-2-methylpropan-1-one

Base Information

• Chemical Name: 1-(2-Hydroxy-5-nitrophenyl)-2-methylpropan-1-one
• CAS No.: 88521-75-9
• Molecular Formula: C10H11NO4
• Molecular Weight: 209.202
• DSSTox Substance ID: DTXSID80523020
• Wikidata: Q82388788
• Mol file: 88521-75-9.mol

Synonyms:1-(2-Hydroxy-5-nitrophenyl)-2-methylpropan-1-one;88521-75-9;SCHEMBL6566676;DTXSID80523020;RMEXNNGZBQYXPU-UHFFFAOYSA-N;1-(2-hydroxy-5-nitrophenyl)-2-methyl-1-propanone

Chemical Property of 1-(2-Hydroxy-5-nitrophenyl)-2-methylpropan-1-one

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 209.06880783
• Heavy Atom Count: 15
• Complexity: 259

Purity/Quality:

85.0-99.8% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 1-(2-Hydroxy-5-nitrophenyl)-2-methylpropan-1-one

There total 3 articles about 1-(2-Hydroxy-5-nitrophenyl)-2-methylpropan-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: 22.7%

4-nitrophenyl isobutyrate (4195-16-8) → 1-(2-hydroxy-5-nitrophenyl)-2-methylpropan-1-one (88521-75-9)

Guidance literature:

aluminum (III) chloride; In nitrobenzene; at 20 - 130 ℃; for 7h;

Reference yield: 8.6%

4-nitro-phenol (100-02-7,78813-13-5,89830-32-0) + isobutyryl chloride (79-30-1) → 1-(2-hydroxy-5-nitrophenyl)-2-methylpropan-1-one (88521-75-9)

Guidance literature:

With aluminium trichloride; In nitrobenzene;

DOI:10.1246/bcsj.56.2762

Reference yield:

1-(2-hydroxyphenyl)-2-methylpropan-1-one (6640-69-3) → 1-(2-hydroxy-3-nitrophenyl)-2-methylpropan-1-one + 1-(2-hydroxy-5-nitrophenyl)-2-methylpropan-1-one (88521-75-9)

Guidance literature:

With nitric acid; In acetic acid; at 5 - 20 ℃; for 5h;

upstream raw materials:

4-nitro-phenol

isobutyryl chloride

4-nitrophenyl isobutyrate

1-(2-hydroxyphenyl)-2-methylpropan-1-one

Downstream raw materials:

ethyl 2-isobutyryl-4-nitrophenoxyacetate

1-[2-(Benzhydryloxy)-5-nitrophenyl]-2-methylpropan-1-one

2-isobutyryl-4-nitrophenoxyacetic acid

1-{2-[Bis(4-fluorophenyl)methoxy]-5-nitrophenyl}-2-methylpropan-1-one