2-Hydroxy-1-(3-nitrophenyl)-1-ethanone

Base Information

• Chemical Name: 2-Hydroxy-1-(3-nitrophenyl)-1-ethanone
• CAS No.: 72802-41-6
• Molecular Formula: C8H7 N O4
• Molecular Weight: 181.148
• Hs Code.: 2914700090
• DSSTox Substance ID: DTXSID90377172
• Wikidata: Q82166273
• Mol file: 72802-41-6.mol

Synonyms:72802-41-6;2-hydroxy-1-(3-nitrophenyl)ethanone;2-hydroxy-1-(3-nitrophenyl)-1-ethanone;2-Hydroxy-3'-nitroacetophenone;2-hydroxy-1-(3-nitrophenyl)ethan-1-one;MFCD04973723;m-nitrophenacyl alcohol;SCHEMBL312393;DTXSID90377172;DQOFDYBDBHDTPG-UHFFFAOYSA-N;XCA80241;AC6690;AKOS005070295;SB84913;SY130957;CS-0322534;FT-0680336;3X-0728;J-509599;2-Hydroxy-3 inverted exclamation mark -nitroacetophenone

Chemical Property of 2-Hydroxy-1-(3-nitrophenyl)-1-ethanone

Chemical Property:

• Vapor Pressure: 0.000624mmHg at 25°C
• Melting Point: 88-90°C
• Boiling Point: 297°C at 760 mmHg
• Flash Point: 131.9°C
• PSA: 83.12000
• Density: 1.39g/cm³
• LogP: 1.29300
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 181.03750770
• Heavy Atom Count: 13
• Complexity: 211

Purity/Quality:

98%min ^*data from raw suppliers

2-Hydroxy-1-(3-nitrophenyl)-1-ethanone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Hydroxy-1-(3-nitrophenyl)-1-ethanone

There total 3 articles about 2-Hydroxy-1-(3-nitrophenyl)-1-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: 68.0%

3'-nitro-2-bromoacetophenone (2227-64-7) → 2-hydroxy-1-(3-nitrophenyl)ethan-1-one (72802-41-6)

Guidance literature:

With silver nitrate; In water; acetone; for 5h; Reflux; Inert atmosphere;

DOI:10.1021/acs.jmedchem.9b00722

Reference yield:

2-acetoxy-1-(3-nitrophenyl)ethanone (90945-65-6) → 2-hydroxy-1-(3-nitrophenyl)ethan-1-one (72802-41-6)

Guidance literature:

With sulfuric acid; water;

Reference yield:

α-tosyloxy-m-nitroacetophenone (92554-40-0) → 2-hydroxy-1-(3-nitrophenyl)ethan-1-one (72802-41-6)

Guidance literature:

In water; dimethyl sulfoxide; at 100 ℃; for 10h;

DOI:10.1039/c9cc00943d

upstream raw materials:

2-acetoxy-1-(3-nitrophenyl)ethanone

3'-nitro-2-bromoacetophenone

α-tosyloxy-m-nitroacetophenone

Downstream raw materials:

carbon dioxide

3-nitrobenzoic acid

4-chlorobenzyl 3-nitrobenzoate

prop-2-yn-1-yl 3-nitrobenzoate

Refernces

• 1、 Li, Cheng,Xie, Yanjun,Xiao, Fuhong,Huang, Huawen,Deng, Guo-Jun. "Regioselective three-component synthesis of 1,2-diarylindoles from cyclohexanones, α-hydroxyketones and anilines under transition-metal-free conditions". supporting information. p. 4079 - 4082. Retrieved 2019/04/25.
• 2、 -. "Antisecretory guanidine derivatives and pharmaceutical compositions containing them". . . Retrieved 2008/06/13.