20691-91-2

Basic information

• Product Name: 1-(1-Methylpiperidin-4-yl)ethanone
• Synonyms: 1-(1-Methylpiperidin-4-yl)ethanone;1-(1-Methyl-4-piperidinyl)-ethanone
• CAS NO: 20691-91-2
• Molecular Formula: C8H15NO
• Molecular Weight: 141.2108
• Mol File: 20691-91-2.mol
• Article Data: 4

Chemical Properties

• Boiling Point: 84-85 °C(Press: 11 Torr)
• Appearance: /
• Density: 0.949±0.06 g/cm3(Predicted)
• PKA: 8.50±0.10(Predicted)
• CAS DataBase Reference: 1-(1-Methylpiperidin-4-yl)ethanone(CAS DataBase Reference)
• NIST Chemistry Reference: 1-(1-Methylpiperidin-4-yl)ethanone(20691-91-2)
• EPA Substance Registry System: 1-(1-Methylpiperidin-4-yl)ethanone(20691-91-2)

Safety Data

• Hazardous Substances Data: 20691-91-2(Hazardous Substances Data)

Usage

General Description

1-(1-Methylpiperidin-4-yl)ethanone, also known as 4-Methyl-1-piperidinyl)acetophenone, is a chemical compound that belongs to the class of ketones. It is commonly used as an intermediate in the synthesis of various pharmaceuticals, agrochemicals, and organic compounds. 1-(1-Methylpiperidin-4-yl)ethanone is characterized by its distinct piperidine ring structure and a ketone functional group, making it a versatile building block in organic chemistry. It is also known for its use in the production of certain medications and as a reagent in organic chemical reactions. However, due to its potential health and environmental hazards, proper handling, storage, and disposal procedures must be followed when working with 1-(1-Methylpiperidin-4-yl)ethanone.

Upstream product

• 20691-92-3 1-methylpiperidine-4-carbonitrile 
• 917-64-6 methyl magnesium iodide 
• 37835-54-4 1-Methyl-4-(1'-hydroxyethyl)piperidine 
• 7630-04-8 1-methyl-4-acetylpyridinium iodide 
• 112654-70-3 1-methyl-4-(2-hydroxyethyl)-1,2,3,6-tetrahydropyridine 
• 1122-54-9 methyl (4-pyridyl) ketone 
• 1570-45-2 isonicotinic acid ethylester 
• 39546-32-2 4-carboxamidopiperidine 
• 2459-09-8 4-pyridinecarboxylic acid, methyl ester 
• 1690-75-1 1-methyl-piperidine-4-carboxylic acid methyl ester 
• 1453-82-3 isonicotinamide 
• 62718-28-9 1-methylpiperidine-4-carboxamide 
• 7630-02-6 4-(methoxycarbonyl)-1-methylpyridinium iodide 
• 30818-11-2 1-(4-piperidinyl)ethanone 

Downstream Products

• 91324-39-9 1-Methyl-4-ethynylpiperidine 
• 91324-51-5 1-Methyl-4-(3'-hydroxy-3',3'-diphenylpropyn-1'-yl)piperidine methiodide 
• 91324-50-4 1-Methyl-4-(3'-hydroxy-3',3'-diphenylpropyn-1'-yl)piperidine 

Relevant articles and documents

HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME

The invention relates to a novel heterocyclic compound inhibiting a cyclin-dependent kinase (CDK) and a pharmaceutical composition comprising the same as an effective ingredient. The heterocyclic compound according to the present invention or pharmaceutically acceptable salt thereof can be effectively used in treating or preventing cancers, degenerative brain diseases, etc.

Synthesis, pharmacology, and molecular modeling studies of semirigid, nicotinic agonists

Eight nicotinic agonists were synthesized, and their potencies were estimated by contracture of the frog rectus abdominis muscle. The most potent, 1-methyl-4-acetyl-1,2,3,6-tetrahydropyridine methiodide (3b), 50 times as potent as carbamylcholine, served as a template for the rest. Although all of the agonists could easily conform to the putative nicotinic pharmacophore, their potencies spanned a nearly 10,000-fold range. This pharmacophore, therefore, may be necessary but deficient. Computer-assisted molecular modeling studies helped to delineate additional factors that may contribute to potency. The factors are (1) the ground-state conformation, (2) superimposability of the hydrogen bond acceptor and the cationic head onto the template, (3) electrostatic potential at the cationic head and at the hydrogen bond acceptor site, and (4) the presence of a methyl group bonded to the carbon atom that bears the hydrogen bond acceptor. A new program, ARCHEM, was used to calculate and to visualize electrostatic potentials at the van der Waals surfaces of the agonists.