94413-64-6

Basic information

• Product Name: 2-CYANO-4-PYRIDINE CARBOXYLIC ACID METHYL ESTER
• Synonyms: 2-CYANO-4-PYRIDINE CARBOXYLIC ACID METHYL ESTER;Methyl 2-cyanoisonicotinate;Methyl 2-cyanopyridine-4-carboxylate;Methyl 2-cyanois;4-Pyridinecarboxylicacid, 2-cyano-, Methyl ester;Topiroxostat impurity L;Topiroxostat Impurity 15
• CAS NO: 94413-64-6
• Molecular Formula: C₈H₆N₂O₂
• Molecular Weight: 162.15
• Mol File: 94413-64-6.mol
• Article Data: 13

Chemical Properties

• Melting Point: 107-109℃
• Boiling Point: 296.6°Cat760mmHg
• Flash Point: 133.2°C
• Appearance: Pale brown/Solid
• Density: 1.25g/cm³
• Vapor Pressure: 0.001mmHg at 25°C
• Refractive Index: 1.536
• Storage Temp.: Inert atmosphere,Room Temperature
• PKA: -2.43±0.10(Predicted)
• Water Solubility: Slightly Soluble in water (6.2 g/L) (25°C).
• CAS DataBase Reference: 2-CYANO-4-PYRIDINE CARBOXYLIC ACID METHYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: 2-CYANO-4-PYRIDINE CARBOXYLIC ACID METHYL ESTER(94413-64-6)
• EPA Substance Registry System: 2-CYANO-4-PYRIDINE CARBOXYLIC ACID METHYL ESTER(94413-64-6)

Safety Data

• HazardClass: 6.1
• Hazardous Substances Data: 94413-64-6(Hazardous Substances Data)

Usage

Uses

Different sources of media describe the Uses of 94413-64-6 differently. You can refer to the following data:
1. 2-Cyano-4-pyridinecarboxylic Acid Methyl Ester, can be used in the synthesis of various pharmaceutical and biologically active compounds, such as tetrasubstituted imidazolines as potent and selective neuropeptide Y (NPY) Y5 receptor antagonists.
2. Methyl 2-cyanoisonicotinate can be used in the synthesis of various pharmaceutical and biologically active compounds, such as tetra substituted imidazolines as potent and selective neuropeptide Y (NPY) Y5 receptor antagonists.

InChI:InChI=1/C8H6N2O2/c1-12-8(11)6-2-3-10-7(4-6)5-9/h2-4H,1H3

Upstream product

• 3783-38-8 methyl isonicotinate N-oxide 
• 7677-24-9 trimethylsilyl cyanide 
• 79-44-7 N,N-Dimethylcarbamoyl chloride 
• 2459-09-8 4-pyridinecarboxylic acid, methyl ester 
• 748101-41-9 zinc cyanide 
• 557-21-1 zinc(II) cyanide 
• 26156-48-9 methyl 2-bromoisonicotinate 
• 66572-56-3 2-bromoisonicotinic acid 
• 773837-37-9 sodium cyanide 

Downstream Products

• 135048-32-7 2-cyanoisonicotinic acid hydrazide 
• 1158972-05-4 methyl 2-[(4S,5S)-4-(4-fluorophenyl)-4-(6-fluoro-3-pyridyl)-5-methyl-4,5-dihydro-1H-imidazol-2-yl]-4-pyridinecarboxylate 
• 1454285-26-7 methyl 2-(formamidomethyl)pyridine-4-carboxylate 
• 1377829-50-9 methyl imidazo[1,5-a]pyridine-7-carboxylate 
• 577778-58-6 [14C]-Topiroxostat 
• 577778-88-2 4-[5-(pyridin-4-yl)-1H-1,2,4-triazol-3-yl]pyridine-2-carbonitrile p-toluenesulfonate 
• 577778-58-6 4-[3-(4-pyridinyl)-1H-1,2,4-triazol-5-yl]-2-pyridinecarbonitrile 
• 161233-97-2 2-cyanopyridine-4-carboxylic acid 
• 94413-69-1 4-carbomethoxy-2-pyridinemethanamine 

Relevant articles and documents

POLYSUBUNIT OPIOID PRODRUGS RESISTANT TO OVERDOSE AND ABUSE

The invention provides compositions and methods for the treatment or prevention of pain. Compositions provided are resistant to overdose and abuse. Compositions provided comprise two or more different molecules, where each molecule comprises at least one GI enzyme-labile opioid agonist releasing subunit comprising an opioid agonist that is covalently linked to at least one GI enzyme inhibitor subunit.

A combination of flow and batch mode processes for the efficient preparation of mGlu2/3 receptor negative allosteric modulators (NAMs)

Benzodiazepinones are privileged scaffolds with activity against multiple therapeutically relevant biological targets. In support of our ongoing studies around allosteric modulators of metabotropic glutamate receptors (mGlus) we required the multigram synthesis of a β-ketoester key intermediate. We report the continuous flow synthesis of tert-butyl 3-(2-cyanopyridin-4-yl)-3-oxopropanoate and its transformation to potent mGlu2/3 negative allosteric modulators (NAMs) in batch mode.

C?H Cyanation of 6-Ring N-Containing Heteroaromatics

Heteroaromatic nitriles are important compounds in drug discovery, both for their prevalence in the clinic and due to the diverse range of transformations they can undergo. As such, efficient and reliable methods to access them have the potential for far-reaching impact across synthetic chemistry and the biomedical sciences. Herein, we report an approach to heteroaromatic C?H cyanation through triflic anhydride activation, nucleophilic addition of cyanide, followed by elimination of trifluoromethanesulfinate to regenerate the cyanated heteroaromatic ring. This one-pot protocol is simple to perform, is applicable to a broad range of decorated 6-ring N-containing heterocycles, and has been shown to be suitable for late-stage functionalization of complex drug-like architectures.