3-HYDROXY-4-NITROBENZONITRILE

Base Information

• Chemical Name: 3-HYDROXY-4-NITROBENZONITRILE
• CAS No.: 18495-15-3
• Molecular Formula: C7H4N2O3
• Molecular Weight: 164.12
• Hs Code.: 2926909090
• Mol file: 18495-15-3.mol

Synonyms:2-Nitro-5-cyanophenol;3-Hydroxy-4-nitrobenzonitrile;

Chemical Property of 3-HYDROXY-4-NITROBENZONITRILE

Chemical Property:

• Vapor Pressure: 0.000266mmHg at 25°C
• Refractive Index: 1.628
• Boiling Point: 313.6 °C at 760 mmHg
• Flash Point: 143.5 °C
• PSA: 89.84000
• Density: 1.49 g/cm³
• LogP: 1.69528
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

98%min ^*data from raw suppliers

3-Hydroxy-4-nitrobenzonitrile >95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 3-Hydroxy-4-nitrobenzonitrile is used in the synthesis of arylbenzoxazoles which can be used as CETP inhibitors.

Technology Process of 3-HYDROXY-4-NITROBENZONITRILE

There total 6 articles about 3-HYDROXY-4-NITROBENZONITRILE 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: 41.0%

4-nitrobenzonitrile (619-72-7) → 3-hydroxy-4-nitrobenzonitrile (18495-15-3) + 4-cyanophenol (767-00-0)

Guidance literature:

With Cumene hydroperoxide; potassium tert-butylate; In ammonia; at -33 ℃;

DOI:10.1021/jo970726m

Reference yield: 28.0%

m-cyanophenol (873-62-1) → 3-hydroxy-4-nitrobenzonitrile (18495-15-3)

Guidance literature:

With sodium nitrate; sulfuric acid; sodium nitrite; In dichloromethane;

Reference yield: 23.0%

m-cyanophenol (873-62-1) → 3-hydroxy-4-nitrobenzonitrile (18495-15-3) + 5-hydroxy-2-nitrobenzenecarbonitrile (13589-74-7) + 3-hydroxy-2-nitrobenzonitrile (129298-23-3)

Guidance literature:

With nitric acid; acetic acid; at 30 - 35 ℃; for 2h;

DOI:10.1039/d1ob00235j

upstream raw materials:

m-cyanophenol

4-nitrobenzonitrile

Downstream raw materials:

5-cyano-1-methoxymethyloxy-2-nitrobenzene

C₉H₉N₃O₃

2-amino-5-(4,5-dihydro-1H-imidazolium-2-yl) phenolate

Refernces

• 1、 -. "ANTIBIOTIC COMPOUNDS". Page/Page column 77; 78. . Retrieved 2018/03/25.
• 2、 Betageri, Raj,Gilmore, Thomas,Kuzmich, Daniel,Kirrane, Thomas M.,Bentzien, J?rg,Wiedenmayer, Dieter,Bekkali, Younes,Regan, John,Berry, Angela,Latli, Bachir,Kukulka, Alison J.,Fadra, Tazmeen N.,Nelson, Richard M.,Goldrick, Susan,Zuvela-Jelaska, Ljiljana,Souza, Don,Pelletier, Josephine,Dinallo, Roger,Panzenbeck, Mark,Torcellini, Carol,Lee, Heewon,Pack, Edward,Harcken, Christian,Nabozny, Gerald,Thomson, David S.. "Non-steroidal dissociated glucocorticoid agonists: Indoles as A-ring mimetics and function-regulating pharmacophores". scheme or table. p. 6842 - 6851. Retrieved 2011/12/22.