2-Hydroxyisonicotinonitrile

Base Information

• Chemical Name: 2-Hydroxyisonicotinonitrile
• CAS No.: 94805-51-3
• Molecular Formula: C6H4N2O
• Molecular Weight: 120.111
• Hs Code.: 2933399090
• European Community (EC) Number: 674-363-4,820-823-6
• Nikkaji Number: J761.156K
• ChEMBL ID: CHEMBL4569333
• Mol file: 94805-51-3.mol

Synonyms:2-Hydroxyisonicotinonitrile;94805-51-3;95891-29-5;2-Oxo-1,2-dihydropyridine-4-carbonitrile;2-hydroxypyridine-4-carbonitrile;2-oxo-1H-pyridine-4-carbonitrile;4-Pyridinecarbonitrile, 1,2-dihydro-2-oxo-;4-CYANO-2-HYDROXYPYRIDINE;MFCD04037920;4-Cyano-2(1H)-pyridone;4-cyano pyridone;4-cyano-2-pyridone;1,2-dihydro-2-oxo-4-Pyridinecarbonitrile;2-Hydroxy-4-cyano-pyridine;SCHEMBL201465;CHEMBL4569333;QCOIIYBOBZFBJE-UHFFFAOYSA-N;AKOS005199113;AKOS015908333;CS-W005865;PB20081;PS-9230;SB10379;2-Hydroxyisonicotinonitrile, AldrichCPR;SY023451;4-Pyridinecarbonitrile,1,2-dihydro-2-oxo-;FT-0676955;EN300-174582;P10286;A922467;F8885-0640;Z385458582

Chemical Property of 2-Hydroxyisonicotinonitrile

Chemical Property:

• Vapor Pressure: 0.000143mmHg at 25°C
• Melting Point: 285-288 °C
• Refractive Index: 1.571
• Boiling Point: 332.7 °C at 760 mmHg
• Flash Point: 155 °C
• PSA: 56.91000
• Density: 1.27 g/cm³
• LogP: 0.65888
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: -0.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 120.032362755
• Heavy Atom Count: 9
• Complexity: 241

Purity/Quality:

98%min ^*data from raw suppliers

2-Hydroxyisonicotinonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CNC(=O)C=C1C#N

Technology Process of 2-Hydroxyisonicotinonitrile

There total 5 articles about 2-Hydroxyisonicotinonitrile 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: 92.0%

4-cyanopyridin-2-amine (42182-27-4) → 2-hydroxyisonicotinonitrile (94805-51-3,95891-29-5)

Guidance literature:

With sulfuric acid; sodium nitrite; In water; at 0 ℃; for 0.5h; Reflux;

Reference yield: 14.0%

4-cyanopyridine N-oxide (14906-59-3) → 2-hydroxyisonicotinonitrile (94805-51-3,95891-29-5)

Guidance literature:

With trifluoroacetic anhydride; at 120 ℃; for 144h;

DOI:10.1002/jlac.199619961003

Reference yield:

pyridine-4-carbonitrile (100-48-1) → 2-hydroxyisonicotinonitrile (94805-51-3,95891-29-5)

Guidance literature:

With sodium hydroxide; In water; at 27 ℃; for 44h; pH=7.0; Product distribution / selectivity; Medium; fermentation;

upstream raw materials:

4-cyanopyridine N-oxide

pyridine-4-carbonitrile

4-(iodo)pyridin-2-amine

4-cyanopyridin-2-amine

Downstream raw materials:

2-amino-2-(5-(5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl)furo[2,3-b]pyridin-2-yl)propane-1,3-diol

5-(5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl)-3-iodopyridin-2-ol

tert-butyl N-(5-{5-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]furo[2,3-b]pyridin-2-yl}-2,2-dimethyl-1,3-dioxan-5-yl)carbamate

Refernces

• 1、 -. "PROCESS FOR PRODUCTION OF 2-HYDROXY-4-SUBSTITUTED PYRIDINES". Page/Page column 10-11. . Retrieved 2008/06/13.