86847-91-8

Basic information

• Product Name: 3-(2,2-DIMETHYL-PROPIONYLAMINO)-ISONICOTINIC ACID
• Synonyms: 3-(2,2-DIMETHYL-PROPIONYLAMINO)-ISONICOTINIC ACID;3-PIVALAMIDOISONICOTINIC ACID;3-(2,2-Dimethylpropanamido)pyridine-4-barboxylic acid
• CAS NO: 86847-91-8
• Molecular Formula: C₁₁H₁₄N₂O₃
• Molecular Weight: 222.24
• Product Categories: pharmacetical
• Mol File: 86847-91-8.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 500.236°C at 760 mmHg
• Flash Point: 256.334°C
• Appearance: /
• Density: 1.25g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.583
• CAS DataBase Reference: 3-(2,2-DIMETHYL-PROPIONYLAMINO)-ISONICOTINIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(2,2-DIMETHYL-PROPIONYLAMINO)-ISONICOTINIC ACID(86847-91-8)
• EPA Substance Registry System: 3-(2,2-DIMETHYL-PROPIONYLAMINO)-ISONICOTINIC ACID(86847-91-8)

Safety Data

• Hazard Codes: Xi
• WGK Germany: 3
• HazardClass: IRRITANT
• Hazardous Substances Data: 86847-91-8(Hazardous Substances Data)

Usage

InChI:InChI=1/C11H14N2O3/c1-11(2,3)10(16)13-8-6-12-5-4-7(8)9(14)15/h4-6H,1-3H3,(H,13,16)(H,14,15)

Upstream product

• 624-92-0 Dimethyldisulphide 
• 70298-88-3 N-(pyridin-3-yl)pivalamide 
• 124-38-9 carbon dioxide 
• 3282-30-2 pivaloyl chloride 
• 462-08-8 pyridin-3-ylamine 

Relevant articles and documents

DEMETHYLASE ENZYMES INHIBITORS

A compound of formula (I) and its use as an inhibitor of one or more histone demethylase enzymes.

Regiospecific Electrophilic Substitution of Aminopyridines: Ortho Lithiation of 2-, 3-, and 4-(Pivaloylamino)pyridines

2- and 4-(pivaloylamino)pyridines have been shown to undergo metalation exclusively at C-3 and these smoothly react with a variety of electrophiles to produce 2,3- and 3,4-disubstituted pyridines, respectively.Removal of the pivaloyl protecting group results in overall electrophilic substitution of an aminopyridine.Utilization of this method is exemplified by efficient syntheses of 2- and 4-aminonicotinaldehydes.Minor modifications of the reaction conditions permitted exclusive ortho metalation of 2-(pivaloylamino)pyridines additionally functionalized by chloro, fluoro, or methyl groups.Although the major product from reaction of 3-(pivaloylamino)pyridine by this method was metalation at C-4, the reaction was complicated by substantial quantities of product derived from nucleophilic attack by n-butyllithium on the pyridine nucleus.