5-Formylnicotinonitrile

Base Information

• Chemical Name: 5-Formylnicotinonitrile
• CAS No.: 70416-53-4
• Molecular Formula: C7H4N2O
• Molecular Weight: 132.1195
• Hs Code.: 2933399090
• European Community (EC) Number: 812-930-1
• DSSTox Substance ID: DTXSID10512962
• Wikidata: Q72479350
• Mol file: 70416-53-4.mol

Synonyms:5-Formylnicotinonitrile;70416-53-4;5-FORMYL-3-PYRIDINECARBONITRILE;5-FORMYLPYRIDINE-3-CARBONITRILE;5-Fornyl-3-pyridinecarbonitrile;MFCD07367908;3-Pyridinecarbonitrile, 5-formyl-;5-formyl-nicotinonitrile;SCHEMBL3941691;DTXSID10512962;RWPAJIVRGSWZAB-UHFFFAOYSA-N;VCA41653;AKOS006227721;AB31380;CS-W018650;AC-14247;DS-16580;SY047414;FT-0696391;P10440;A857074

Chemical Property of 5-Formylnicotinonitrile

Chemical Property:

• Vapor Pressure: 0.07mmHg at 25°C
• Refractive Index: 1.554
• Boiling Point: 229.342 °C at 760 mmHg
• PKA: -0.01±0.20(Predicted)
• Flash Point: 92.503 °C
• PSA: 53.75000
• Density: 1.242 g/cm³
• LogP: 0.76578
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 0
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 132.032362755
• Heavy Atom Count: 10
• Complexity: 170

Purity/Quality:

98% ^*data from raw suppliers

5-Formyl-3-pyridinecarbonitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=C(C=NC=C1C#N)C=O

Technology Process of 5-Formylnicotinonitrile

There total 6 articles about 5-Formylnicotinonitrile 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: 74.0%

5-vinylnicotinonitrile (100949-02-8) → 5-formylpyridine-3-carbonitrile (70416-53-4)

Guidance literature:

5-vinylnicotinonitrile; With osmium(VIII) oxide; 4-methylmorpholine N-oxide; In water; acetone; tert-butyl alcohol; at 0 ℃; for 3h;

With sodium periodate; In tetrahydrofuran; water; tert-butyl alcohol; at 20 ℃; for 12h;

Reference yield: 55.0%

5-(hydroxymethyl)pyridine-3-carbonitrile (135124-71-9) → 5-formylpyridine-3-carbonitrile (70416-53-4)

Guidance literature:

With manganese(IV) oxide; In dichloromethane; at 60 ℃; for 98h;

Reference yield: 26.0%

5-bromopyridine-3-carbaldehyde (113118-81-3) + copper(l) cyanide → 5-formylpyridine-3-carbonitrile (70416-53-4)

Guidance literature:

In N,N-dimethyl-formamide; at 140 ℃; Inert atmosphere;

upstream raw materials:

5-(hydroxymethyl)pyridine-3-carbonitrile

5-[1,3]dioxolan-2-yl-nicotinonitrile

5-bromopyridine-3-carbaldehyde

5-bromopyridine-3-carbonitrile

Downstream raw materials:

5-(hydroxymethyl)pyridine-3-carbonitrile

5-(chloromethyl)nicotinonitrile hydrochloride

Refernces

• 1、 -. "BICYCLIC COMPOUNDS AS INHIBITORS OF PD1/PD-L1 INTERACTION/ACTIVATION". . . Retrieved 2019/10/04.
• 2、 Patrick, Donald A.,Bakunov, Stanislav A.,Bakunova, Svetlana M.,Wenzler, Tanja,Brun, Reto,Tidwell, Richard R.. "Antiprotozoal activity of dicationic 3,5-diphenylisoxazoles, their prodrugs and aza-analogues". . p. 559 - 576. Retrieved 2014/01/17.