218780-53-1

Basic information

• Product Name: 1-N-(Methylsulfonyl)-4-piperidinone
• Synonyms: 1-(METHYLSULFONYL)-4-PIPERIDINONE;1-(Methylsulphonyl)-4-piperidinone;1-N-(Methylsulfonyl)-4-piperidinone;1-Methylsulfonyl-4-piperidone;1-(Methylsulphonyl)-4-oxopiperidine;1-Methanesulfonylpiperidin-4-one
• CAS NO: 218780-53-1
• Molecular Formula: C₆H₁₁NO₃S
• Molecular Weight: 177.22
• Mol File: 218780-53-1.mol

Chemical Properties

• Melting Point: 102-103 °C
• Boiling Point: 320.414 °C at 760 mmHg
• Flash Point: 147.581 °C
• Appearance: /
• Density: 1.332 g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.522
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: -6.09±0.20(Predicted)
• CAS DataBase Reference: 1-N-(Methylsulfonyl)-4-piperidinone(CAS DataBase Reference)
• NIST Chemistry Reference: 1-N-(Methylsulfonyl)-4-piperidinone(218780-53-1)
• EPA Substance Registry System: 1-N-(Methylsulfonyl)-4-piperidinone(218780-53-1)

Safety Data

• Hazardous Substances Data: 218780-53-1(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Synthesis:
1-N-(Methylsulfonyl)-4-piperidinone is used as a key intermediate in the synthesis of various pharmaceuticals. Its versatile nature and the presence of a sulfonyl functional group make it a valuable component in the creation of new drug molecules.
Used in Organic Chemistry Research:
1-N-(Methylsulfonyl)-4-piperidinone is used as a reagent in organic chemistry research, particularly in the study of nucleophilic substitution reactions. Its sulfonyl functional group serves as a good leaving group, facilitating the reaction process and allowing for the exploration of new chemical pathways and compounds.
Used in Drug Development:
1-N-(Methylsulfonyl)-4-piperidinone is used as a building block in drug development, where its unique structure and properties can be leveraged to create novel therapeutic agents. Its presence in the molecular structure can contribute to the overall efficacy and selectivity of the drug, making it an important component in the pharmaceutical industry.

InChI:InChI=1/C6H11NO3S/c1-11(9,10)7-4-2-6(8)3-5-7/h2-5H2,1H3

Upstream product

• 124-63-0 methanesulfonyl chloride 
• 41979-39-9 4-piperidone hydrochloride 
• 40064-34-4 4-piperidone monohydrochloride monohydrate 
• 40064-34-4 piperidine-4,4-diol hydrochloride 
• 79099-07-3 N-tert-butyloxycarbonylpiperidin-4-one 
• 7143-01-3 Methanesulfonic anhydride 
• 59039-18-8 8-methanesulfonyl-1,4-dioxa-8-aza-spiro[4.5]decane 

Downstream Products

• 1155995-63-3 C₁₃H₂₀N₂O₂S 
• 438585-61-6 N-methyl‐1‐(methylsulphonyl)piperidin‐4‐amine 
• 1190979-74-8 2-chloro-4-(1-(methylsulfonyl)piperidin-4-ylamino)phenol 
• 802536-13-6 N,1-dimethyl-8-([1-(methylsulfonyl)piperidin-4-yl]amino)-4,5-dihydro-1H-pyrazolo[4,3-h]quinazoline-3-carboxamide 
• 1264755-13-6 1-methanesulfonyl-3-(4-trifluoromethyl-benzoyl)-piperidin-4-one 
• 400797-90-2 5-(methylsulfonyl)-3-(4-(trifluoromethyl)phenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine 
• 400801-26-5 5-methanesulfonyl-1-((R)-oxiranylmethyl)-3-(4-trifluoromethyl-phenyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine 
• 400797-45-7 (S)-5-Dimethylamino-3-(1-{2-hydroxy-3-[5-methanesulfonyl-3-(4-trifluoromethyl-phenyl)-4,5,6,7-tetrahydro-pyrazolo[4,3-c]pyridin-1-yl]-propyl}-piperidin-4-yl)-1-methyl-1,3-dihydro-imidazo[4,5-b]pyridin-2-one 
• 1264755-18-1 5-dimethylamino-3-(1-{2-(S)-hydroxy-3-[5-methanesulfonyl-3-(4-trifluoromethyl-phenyl)-4,5,6,7-tetrahydro-pyrazolo[4,3-c]pyridin-1-yl]-propyl}-piperidin-4-yl)-1-methyl-1,3-dihydro-imidazo[4,5-b]pyridin-2-one hydrochloride 
• 1264755-22-7 1-chloro-3-[5-methanesulfonyl-3-(4-trifluoromethyl-phenyl)-4,5,6,7-tetrahydro-pyrazolo[4,3-c]pyridin-1-yl]-propan-2(R)-ol 
• 1613304-95-2 N-isobutyl-4-(1-methanesulfonylpiperidin-4-ylidenemethyl)benzenesulfonamide 
• 1630952-69-0 8-(1'-(methylsulfonyl)spiro[chroman-2,4'-piperidin]-4-yl)-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one 
• 1048034-83-8 2-chloro-5-(5-methanesulfonyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)-benzonitrile 

Relevant articles and documents

PROCESS FOR THE PREPARATION OF CATHEPSIN S INHIBITORS

Inhibitors of Cathepsin S enzyme and their synthetic processes.

The Piloty-Robinson reaction of N-substituted piperidin-4-one azines. A novel route for the synthesis of 3,6-diazacarbazole

The possibility of preparing 1,2,3,4,6,7,8,9-octahydro-5H-pyrrolo[3,2-c:4, 5-c']dipyridines using the Piloty-Robinson reaction has been studied under various conditions. A novel method is proposed for the synthesis of the aromatic 3,6-diazacarbazole (5H-pyrrolo[3,2-c:4,5-c']dipyridine) from 2,8-dibenzoyl-1,2,3,4,6,7,8,9-octahydro-5H-pyrrolo[3,2-c:4,5-c']dipyridine obtained for the first time by the Piloty- Robinson method under thermal conditions.

TETRAHYDRO-PYRAZOLO-PYRIDINE THIOETHER MODULATORS OF CATHEPSIN S

Tetrahydro-pyrazolo-pyridine thioether compounds are described, which are useful as cathepsin S modulators. Such compounds may be used in pharmaceutical compositions and methods for the treatment of disease states, disorders, and conditions mediated by ca

BIARYL-SUBSTITUTED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S

Biaryl-substituted tetrahydro-pyrazolo-pyridine compounds are described, which are useful as cathepsin S modulators. Such compounds may be used in pharmaceutical compositions and methods for the treatment of disease states, disorders, and conditions media

BICYCLIC AMINOPROPYL TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S

Bicyclic aminopropyl tetrahydro-pyrazolo-pyridine compounds are described, which are useful as cathepsin S modulators. Such compounds may be used in pharmaceutical compositions and methods for the treatment of disease states, disorders, and conditions med

1- [3- (MONOCYCLIC AMINO) PROPYL] - 4, 5, 6, 7-TETRAHYDRO-1H-PYRAZOLO [4, 3-C] -PYRIDINES AS MODULATORS OF CATHEPSIN S

Monocyclic aminopropyl tetrahydro-pyrazolo-pyridine compounds of formula (I) are described, which are useful as cathepsin S modulators. Such compounds may be used in pharmaceutical compositions and methods for the treatment of disease states, disorders, a

CARBON-LINKED TETRAHYDRO-PYRAZOLO-PYRIDINE MODULATORS OF CATHEPSIN S

Carbon-linked tetrahydro-pyrazolo-pyridine compounds are described, which are useful as cathepsin S modulators. Such compounds may be used in pharmaceutical compositions and methods for the treatment of disease states, disorders, and conditions mediated by cathepsin S activity, such as psoriasis, pain, multiple sclerosis, atherosclerosis, and rheumatoid arthritis.

Two-step synthesis of achiral dispiro-1,2,4,5-tetraoxanes with outstanding antimalarial activity, low toxicity, and high-stability profiles

A rapid, two-step synthesis of a range of dispiro-1,2,4,5-tetraoxanes with potent antimalarial activity both in vitro and in vivo has been achieved. These 1,2,4,5-tetraoxanes have been proven to be superior to 1,2,4-trioxolanes in terms of stability and to be superior to trioxane analogues in terms of both stability and activity. Selected analogues have in vitro nanomolar antimalarial activity and good oral activity and are nontoxic in screens for both cytotoxicity and genotoxicity. The synthesis of a fluorescent 7-nitrobenza-2-oxa-1,3-diazole (NBD) tagged tetraoxane probe and use of laser scanning confocal microscopy techniques have shown that tagged molecules accumulate selectively only in parasite infected erythrocytes and that intraparasitic formation of adducts could be inhibited by co-incubation with the iron chelator desferrioxamine (DFO).

DISPIRO TETRAOXANE COMPOUNDS

A compound having the formula (I) wherein ring A represents a substituted or unsubstituted monocyclic or multicyclic ring; m=any positive integer; n=0-5; X=CH and Y=-C(O)NR1R2, -NR1R2 or -S(O)2R4, where R1, R2 and R4 are each individually selected from the group consisting of H, substituted or unsubstituted alkyl, substituted or unsubstituted aryl, substituted or unsubstituted amine, substituted or unsubstituted carbocyclic ring, substituted or unsubstituted heterocyclic ring, or any combination thereof, or R1 and R2 are linked so as to form part of a substituted or unsubstituted heterocyclic ring, or X=N and Y=-S(O)2R3 or -C(O)R3, where R3 is selected from the group consisting of H, substituted or unsubstituted alkyl, substituted or unsubstituted aryl, substituted or unsubstituted amine, substituted or unsubstituted carbocyclic ring, substituted or unsubstituted heterocyclic ring or any combination thereof.

Pharmaceutical compounds

Compounds of Formulae Ia and Ib, and stereoisomers, geometric isomers, tautomers, solvates, metabolites and pharmaceutically acceptable salts thereof, are useful for inhibiting lipid kinases including PI3K, and for treating disorders such as cancer mediated by lipid kinases. Methods of using compounds of Formula Ia and Ib for in vitro, in situ, and in vivo diagnosis, prevention or treatment of such disorders in mammalian cells, or associated pathological conditions, are disclosed.