2-HYDROXY-5-NITRONICOTINONITRILE

Base Information

• Chemical Name: 2-HYDROXY-5-NITRONICOTINONITRILE
• CAS No.: 31309-38-3
• Molecular Formula: C6H3 N3 O3
• Molecular Weight: 165.108
• Hs Code.: 2933399090
• Mol file: 31309-38-3.mol

Synonyms:Nicotinonitrile,1,2-dihydro-5-nitro-2-oxo- (8CI); Nicotinonitrile, 2-hydroxy-5-nitro- (6CI)

Chemical Property of 2-HYDROXY-5-NITRONICOTINONITRILE

Chemical Property:

• Vapor Pressure: 0.000632mmHg at 25°C
• Melting Point: 265-266 °C(Solv: water (7732-18-5))
• Boiling Point: 309.6°Cat760mmHg
• PKA: 4.97±0.10(Predicted)
• Flash Point: 141°C
• PSA: 102.73000
• Density: 1.54g/cm³
• LogP: 1.09028
• Storage Temp.: 2-8°C

Purity/Quality:

95% ^*data from raw suppliers

2-Hydroxy-5-nitropyridine-3-carbonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-HYDROXY-5-NITRONICOTINONITRILE

There total 3 articles about 2-HYDROXY-5-NITRONICOTINONITRILE 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: 63.0%

2-hydroxy-3-cyanopyridine (20577-27-9,95907-03-2) → 2-hydroxy-5-nitronicotinonitrile (31309-38-3)

Guidance literature:

With sulfuric acid; nitric acid; at 0 - 5 ℃; for 2h;

Reference yield:

nitromalondialdehyde sodium salt (34461-00-2) + cyanoacetic acid amide (107-91-5) → 2-hydroxy-5-nitronicotinonitrile (31309-38-3)

Guidance literature:

With water; N-benzyl-trimethylammonium hydroxide;

DOI:10.1021/ja01609a077

Reference yield:

2-chloro-3-pyridinecarbonitrile (6602-54-6) → 2-hydroxy-5-nitronicotinonitrile (31309-38-3)

Guidance literature:

Multi-step reaction with 2 steps

1: acetic acid / 48 h / Reflux

2: sulfuric acid; nitric acid / 2 h / 0 - 5 °C

With sulfuric acid; nitric acid; acetic acid;

upstream raw materials:

nitromalondialdehyde sodium salt

cyanoacetic acid amide

2-chloro-3-pyridinecarbonitrile

2-hydroxy-3-cyanopyridine

Downstream raw materials:

2-chloro-5-nitropyridine-3-carbonitrile

5-nitro-2-hydroxypyridine

2-hydroxy-5-nitropyridine-3-carboxylic acid

Refernces

• 1、 -. "PYRIDYL COMPOUND SUITABLE FOR THE TREATMENT OF METABOLIC DISORDERS". . . Retrieved 2015/01/16.