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

20691-91-2

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20691-91-2 Usage

Uses

Used in Pharmaceutical Industry:
1-(1-Methylpiperidin-4-yl)ethanone is used as an intermediate in the synthesis of various pharmaceuticals for its ability to contribute to the development of new medications with potential therapeutic applications.
Used in Agrochemical Industry:
In the agrochemical industry, 1-(1-Methylpiperidin-4-yl)ethanone is used as an intermediate in the production of agrochemicals, such as pesticides and herbicides, due to its reactivity and structural properties that can be incorporated into these compounds.
Used in Organic Chemistry Research:
1-(1-Methylpiperidin-4-yl)ethanone is used as a reagent in organic chemical reactions, enabling researchers to explore new reaction pathways and synthesize novel organic compounds with potential applications in various fields.
Used in Organic Compounds Synthesis:
As a versatile building block in organic chemistry, 1-(1-Methylpiperidin-4-yl)ethanone is used in the synthesis of a wide range of organic compounds, leveraging its unique structural features to create new molecules with specific properties and functions.

Check Digit Verification of cas no

The CAS Registry Mumber 20691-91-2 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 2,0,6,9 and 1 respectively; the second part has 2 digits, 9 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 20691-91:
(7*2)+(6*0)+(5*6)+(4*9)+(3*1)+(2*9)+(1*1)=102
102 % 10 = 2
So 20691-91-2 is a valid CAS Registry Number.

20691-91-2SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-(1-methylpiperidin-4-yl)ethanone

1.2 Other means of identification

Product number -
Other names 4-acetyl-1-methylpiperidine

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:20691-91-2 SDS

20691-91-2Relevant academic research and scientific papers

HETEROCYCLIC COMPOUND AND PHARMACEUTICAL COMPOSITION COMPRISING SAME

-

, (2018/01/11)

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.

Pyrrole derivatives, and pharmaceutical compositions which contain them and pharmacological methods of use

-

, (2008/06/13)

Pyrrole derivatives of formula (I): STR1 in which A forms with the pyrrole ring an isoindoline, 6,7-dihydro-5H-pyrrolo[3,4-b]pyrazine, 2,3,6,7-tetrahydro-5H-[1,4]oxathiino[2,3-c]pyrrole or 2,3,6,7-tetrahydro-5H-[1,4]dithiino[2,3-c]pyrrole ring-system, Het=naphthyridinyl, pyridyl or quinolyl which are unsubstituted or substituted with halogen, (1 to 4 C) alkyl, (1 to 4 C) alkyloxy, (1 to 4 C) alkylthio or CF3, Y=CO, C=NOH or CHOH and R=(3 to 10 C) alkenyl, alkyl which is unsubstituted or substituted with OH, alkyloxy, alkylthio, (3 to 6 C) cycloalkyl, NH2, alkylamino, dialkylamino, alkylcarbonylamino, piperazinyl, piperidyl, 1-azetidinyl, morpholino, pyrrolidinyl, carbamoyl, alkylcarbamoyl, dialkylcarbamoyl, (1-piperazinyl)carbonyl, piperidinocarbonyl, pyrrolidinocarbonyl, phenyl, pyridyl, 1-imidazolyl or alternatively R=2- or 3-pyrrolididnyl, 2-, 3- or 4-piperidyl, (3 to 6 C) cycloalkyl or phenyl which is unsubstituted or substituted with halogen, (1 to 4 C) alkyl, (1 to 4 C) alkyloxy, (1 to 4 C) alkylthio, the said alkyl radicals and portions containing, except where specifically stated, 1 to 10 C, and the piperazinyl, piperidino, piperidyl, pyrrolidinyl, azetidinyl radicals being unsubstituted or substituted at any position by alkyl, alkylcarbonyl, benzyl or hydroxyalkyl, or can alternatively form a lactam group with the nitrogen atom of the ring, and their salts and optical isomers are useful as anxiolytics.

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

Waters,Spivak,Hermsmeier,Yadav,Liang,Gund

, p. 545 - 554 (2007/10/02)

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.

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