91596-61-1

Basic information

• Product Name: 1-PIPERIDIN-4-YLPYRROLIDIN-2-ONE
• Synonyms: 1-PIPERIDIN-4-YLPYRROLIDIN-2-ONE;1-(4-Piperidinyl)-2-pyrrolidinone;1-(4-PIPERIDINYL)-2-PYRROLIDINONE HCL;4-(2-Oxo-1-pyrrolidinyl)piperidine
• CAS NO: 91596-61-1
• Molecular Formula: C₉H₁₆N₂O
• Molecular Weight: 168.24
• Mol File: 91596-61-1.mol
• Article Data: 8

Chemical Properties

• Melting Point: 106.2℃
• Boiling Point: 320.169 °C at 760 mmHg
• Flash Point: 147.433 °C
• Appearance: /
• Density: 1.104 g/cm³
• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.523
• Storage Temp.: 2-8°C
• PKA: 9.91±0.10(Predicted)
• CAS DataBase Reference: 1-PIPERIDIN-4-YLPYRROLIDIN-2-ONE(CAS DataBase Reference)
• NIST Chemistry Reference: 1-PIPERIDIN-4-YLPYRROLIDIN-2-ONE(91596-61-1)
• EPA Substance Registry System: 1-PIPERIDIN-4-YLPYRROLIDIN-2-ONE(91596-61-1)

Safety Data

• Hazardous Substances Data: 91596-61-1(Hazardous Substances Data)

Usage

Uses

1-Piperidin-4-yl-pyrrolidin-2-one is an azabenzthiazole inhibitor of leukotriene A4 hydrolase. Anti-inflammatory.

InChI:InChI=1/C9H16N2O/c12-9-2-1-7-11(9)8-3-5-10-6-4-8/h8,10H,1-7H2

Upstream product

• 340962-88-1 1-(1-benzylpiperidin-4-yl)pyrrolidin-2-one 
• 3612-20-2 1-phenylmethyl-4-piperidone 
• 50541-93-0 4-amino-1-benzylpiperidine 

Downstream Products

• 1048033-36-8 N-[2-chloro-5-(1-{2-hydroxy-3-[4-(2-oxo-pyrrolidin-1-yl)-piperidin-1-yl]-propyl}-5-methanesulfonyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)-benzyl]-4-fluoro-benzamide 
• 1048035-04-6 2-chloro-5-(5-methanesulfonyl-1-(3-[4-(2-oxo-pyrrolidin-1-yl)-piperidin-1-yl]-propyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)-benzonitrile 
• 1049094-70-3 {2-[5-(1-{2-hydroxy-3-[4-(2-oxo-pyrrolidin-1-yl)-piperidin-1-yl]-propyl}-5-methanesulfonyl-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)-2-trifluoromethyl-phenylsulfanyl]-ethyl}-carbamic acid tert-butyl ester 
• 1131738-53-8 C₂₇H₃₃ClFN₃O₂ 
• 1049094-10-1 1-[1-(3-{3-[3-(2-hydroxy-ethylsulfanyl)-4-trifluoromethyl-phenyl]-5-methanesulfonyl-4,5,6,7-tetrahydro-pyrazolo[4,3-c]pyridin-1-yl}-propyl)-piperidin-4-yl]-pyrrolidin-2-one 
• 1190925-33-7 1-{1-[4-([1,3]Thiazolo[5,4-b]pyridin-2-yloxy)benzyl]piperidin-4-yl}pyrrolidin-2-one 
• 1131739-58-6 2-(3,4-dichlorophenyl)-2-methyl-4-[4-(2-oxopyrrolidin-1-yl)piperidin-1-yl]butyric acid methyl ester 
• 1049095-64-8 1-(1-{2-Hydroxy-3-[5-(methylsulfonyl)-3-{3-[(2-piperidin-1-ylethyl)sulfanyl]-4-(trifluoromethyl)phenyl}-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-1-yl]propyl}piperidin-4-yl)pyrrolidin-2-one 
• 1049103-12-9 [5-(5-Methanesulfonyl-1-[3-[4-(2-oxo-pyrrolidin-1-yl)-piperidin-1-yl]-propyl]-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)-2-trifluoromethyl-phenylsulfanyl]-acetic acid ethyl ester 
• 1241947-13-6 C₂₃H₂₆ClN₅O₂ 
• 1255716-00-7 N-(4-chloro-benzyl)-N-{4-[4-(2-oxo-pyrrolidin-1-yl)-piperidine-1-carbonyl]-phenyl}-benzenesulfonamide 
• 1374567-35-7 C₂₇H₂₈F₃N₅O₄ 
• 1190925-03-1 1-{1-[4-([1,3]Thiazolo[4,5-b]pyridin-2-yloxy)benzyl]piperidin-4-yl}pyrrolidin-2-one 
• 1190924-53-8 1-(1-{2-[4-([1,3]Thiazolo[4,5-b]pyridin-2-yloxy)phenoxy]ethyl}piperidin-4-yl)pyrrolidin-2-one 

Relevant articles and documents

Amino pyrimidine compound and preparation method and application thereof

The invention relates to an amino pyrimidine compound and a preparation method and application thereof. The amino pyrimidine compound has a structure as shown in a formula I. The formula is shown in the description. The compound is an inhibitor of an epidermal growth factor receptor (EGFR) kinase. The invention further relates to a medicine composition comprising the compound, a preparation methodand application thereof in preparation of anti-tumor medicines.

Discovery of a tetrahydropyrimidin-2(1 H)-one derivative (TAK-442) as a potent, selective, and orally active factor Xa inhibitor

Coagulation enzyme factor Xa (FXa) is a particularly promising target for the development of new anticoagulant agents. We previously reported the imidazo[1,5-c]imidazol-3-one derivative 1 as a potent and orally active FXa inhibitor. However, it was found that 1 predominantly undergoes hydrolysis upon incubation with human liver microsomes, and the human specific metabolic pathway made it difficult to predict the human pharmacokinetics. To address this issue, our synthetic efforts were focused on modification of the imidazo[1,5-c] imidazol-3-one moiety of the active metabolite 3a, derived from 1, which resulted in the discovery of the tetrahydropyrimidin-2(1H)-one derivative 5k as a highly potent and selective FXa inhibitor. Compound 5k showed no detectable amide bond cleavage in human liver microsomes, exhibited a good pharmacokinetic profile in monkeys, and had a potent antithrombotic efficacy in a rabbit model without prolongation of bleeding time. Compound 5k is currently under clinical development with the code name TAK-442.

High-yielding syntheses of 1-piperidin-4-yl butyro- and valerolactams through a tandem reductive animation-lactamization (reductive lactamization)

We report a procedure for the concise and high-yielding syntheses of 1-piperidin-4-yl-substituted butyro- and valero-lactams. Beginning with 1-benzyl-4-piperidone and γ- or δ-amino esters or acids, we have effected a tandem reductive animation lactamizati