23819-92-3

Basic information

• Product Name: 5-CHLORO-2-HYDROXY-4,6-DIMETHYLNICOTINONITRILE
• Synonyms: 5-CHLORO-2-HYDROXY-4,6-DIMETHYLNICOTINONITRILE;5-CHLORO-4,6-DIMETHYL-2-HYDROXYPYRIDINE-3-CARBONITRILE
• CAS NO: 23819-92-3
• Molecular Formula: C₈H₇ClN₂O
• Molecular Weight: 182.61
• Mol File: 23819-92-3.mol
• Article Data: 8

Chemical Properties

• Melting Point: 275-278℃
• Boiling Point: 288.6℃
• Flash Point: 128.3℃
• Appearance: /
• Density: 1.31
• Vapor Pressure: 0.00232mmHg at 25°C
• Refractive Index: 1.554
• CAS DataBase Reference: 5-CHLORO-2-HYDROXY-4,6-DIMETHYLNICOTINONITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: 5-CHLORO-2-HYDROXY-4,6-DIMETHYLNICOTINONITRILE(23819-92-3)
• EPA Substance Registry System: 5-CHLORO-2-HYDROXY-4,6-DIMETHYLNICOTINONITRILE(23819-92-3)

Safety Data

• Hazardous Substances Data: 23819-92-3(Hazardous Substances Data)

Usage

General Description

5-CHLORO-2-HYDROXY-4,6-DIMETHYLNICOTINONITRILE is a chemical compound with the molecular formula C9H10ClN2O. It is a derivative of nicotinonitrile, featuring a chlorine atom at the 5 position and a hydroxyl group at the 2 position. It also has methyl groups at the 4 and 6 positions. 5-CHLORO-2-HYDROXY-4,6-DIMETHYLNICOTINONITRILE is commonly used as an intermediate in the synthesis of pharmaceuticals, agrochemicals, and other organic compounds. It may also have potential applications in the field of medical research and drug development due to its unique structure and properties. Overall, 5-CHLORO-2-HYDROXY-4,6-DIMETHYLNICOTINONITRILE is a versatile and valuable chemical building block with various potential uses in the chemical and pharmaceutical industries.

InChI:InChI=1/C8H7ClN2O/c1-4-6(3-10)8(12)11-5(2)7(4)9/h1-2H3,(H,11,12)

Upstream product

• 1694-29-7 3-chloropentane-2,4-dione 
• 107-91-5 cyanoacetic acid amide 
• 123-54-6 acetylacetone 
• 769-28-8 3-Cyano-4,6-dimethyl-2(1H)-pyridon 
• 769-28-8 2-hydroxy-4,6-dimethyl-3-carbonitrile 

Downstream Products

• 91591-63-8 2,5-dichloro-4,6-dimethylpyridine-3-carbonitrile 
• 1402714-41-3 5-[3-(2,5-dichloro-4,6-dimethyl-1-oxy-pyridin-3-yl)-[1,2,4]oxadiazol-5-yl]-2-hydroxy-3-methoxy-1-nitrobenzene 
• 923287-50-7 2,5-dichloro-3-(5-(3,4-dihydroxy-5-nitrophenyl)-1,2,4-oxadiazol-3-yl)-4,6-dimethylpyridine 1-oxide 
• 1391712-50-7 5-[3-(2,5-dichloro-4,6-dimethyl-pyridin-3-yl)-[1,2,4]oxadiazol-5-yl]-2-hydroxy-3-methoxy-1-nitrobenzene 
• 175204-44-1 2,5-dichloro-4,6-dimethylnicotinamide 

Relevant articles and documents

Preparation method of dichloro dialkyl fumaronitrile

The preparation method comprises the following steps: I raw materials are taken as raw materials, and chlorine or N - chlorosuccinimide is used as a chlorination reagent for chlorination reaction to generate compound II. The condensation reaction of compound II with cyanoacetamide is carried out under the action of a base to give compound III. The compound III is chlororeacted with phosphorus oxychloride to give a dichloro dialkyl nicotinonitrile. The preparation method avoids the use of sulfonyl chloride as a chlorination reagent, thereby avoiding the generation of sulfur dioxide tail gas, and preventing the generated acid waste gas from corroding equipment and the like.

A structure-activity relationship study of the positive allosteric modulator LY2033298 at the M4 muscarinic acetylcholine receptor

Positive allosteric modulators (PAMs) targeting the M4 muscarinic acetylcholine receptor (mAChR) offer greater sub-type selectivity and unique potential as central nervous system agents through their novel mode of action to traditional orthosteric ligands. In an attempt to elucidate the molecular determinants of allostery mediated by the exemplar thienopyridine M4 mAChR PAM, LY2033298, we report herein a systematic structure-activity relationship (SAR) study investigating different linkage points, halogen replacements to examine size and electronic effects, and different substitution combinations on the thienopyridine scaffold. We applied an operational model of allosterism to determine values of functional affinity (KB), cooperativity (αβ) and intrinsic agonism (τB) for all compounds.

Oxadiazole derivatives as COMT inhibitors

This invention relates to novel substituted [1,2,4]-oxadiazoles, their use in the treatment of some central and peripheral nervous system disorders, methods for their preparation and pharmaceutical compositions containing them.