416852-82-9

Basic information

• Product Name: 4-FLUORO-1-(1,1-DIMETHYLETHYL)1,4-PIPERIDINEDICARBOXYLIC ACID-4-ETHYL ESTER
• Synonyms: 1-(1,1-DIMETHYLETHYL) 4-ETHYL ESTER-4-FLUORO-1,4-PIPERIDINEDICARBOXYLIC ACID;4-FLUORO-1-(1,1-DIMETHYLETHYL)1,4-PIPERIDINEDICARBOXYLIC ACID-4-ETHYL ESTER;4-FLUORO-1-BOC-4-PIPERIDINE CARBOXYLIC ACID ETHYL ESTER;1-TERT-BUTYL 4-ETHYL 4-FLUOROPIPERIDINE-1,4-DICARBOXYLATE;Ethyl N-Boc-4-fluoropiperidine-4-carboxylate;4-Fluoro-1,4-Piperidinedicarboxylic Acid 1-(1,1-DiMethylethyl) 4-Ethyl Ester;Ethyl N-tert-butoxycarbonyl-4-fluoropiperidine-4-carboxylate;4-Fluoro-piperidine-1,4-dicarboxylic acid 1-tert-butyl ester 4-ethyl ester
• CAS NO: 416852-82-9
• Molecular Formula: C₁₃H₂₂FNO₄
• Molecular Weight: 275.32
• Mol File: 416852-82-9.mol
• Article Data: 11

Chemical Properties

• Boiling Point: 319 °C at 760 mmHg
• Flash Point: 146.7 °C
• Appearance: /
• Density: 1.13 g/cm³
• Vapor Pressure: 0.000349mmHg at 25°C
• Refractive Index: 1.469
• PKA: -3.94±0.40(Predicted)
• CAS DataBase Reference: 4-FLUORO-1-(1,1-DIMETHYLETHYL)1,4-PIPERIDINEDICARBOXYLIC ACID-4-ETHYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: 4-FLUORO-1-(1,1-DIMETHYLETHYL)1,4-PIPERIDINEDICARBOXYLIC ACID-4-ETHYL ESTER(416852-82-9)
• EPA Substance Registry System: 4-FLUORO-1-(1,1-DIMETHYLETHYL)1,4-PIPERIDINEDICARBOXYLIC ACID-4-ETHYL ESTER(416852-82-9)

Safety Data

• Hazardous Substances Data: 416852-82-9(Hazardous Substances Data)

Usage

General Description

4-FLUORO-1-(1,1-DIMETHYLETHYL)1,4-PIPERIDINEDICARBOXYLIC ACID-4-ETHYL ESTER is a chemical compound that belongs to the class of piperidine derivatives. It consists of a piperidine ring with a 4-fluoro substitution and a 1,1-dimethylethyl group attached to the nitrogen atom. Additionally, it contains two carboxylic acid groups and an ethyl ester group. 4-FLUORO-1-(1,1-DIMETHYLETHYL)1,4-PIPERIDINEDICARBOXYLIC ACID-4-ETHYL ESTER may have potential applications in the pharmaceutical industry, possibly as a precursor or intermediate in the synthesis of other compounds. Its properties, uses, and potential biological activities would need to be further investigated through research and testing.

InChI:InChI=1/C13H22FNO4/c1-5-18-10(16)13(14)6-8-15(9-7-13)11(17)19-12(2,3)4/h5-9H2,1-4H3

Upstream product

• 142851-03-4 1-tert-butyl 4-ethyl piperidine-1,4-dicarboxylate 

Downstream Products

• 614730-97-1 4-fluoro-4-(hydroxymethyl)piperidine-1-carboxylic acid tert-butyl ester 
• 614731-04-3 1-[(tert-butoxy)carbonyl]-4-fluoropiperidine-4-carboxylic acid 
• 1137478-13-7 tert-butyl 4-((2-(5-cyanopyrazin-2-ylamino)-5-(4-methoxyphenyl)pyridin-4-ylamino)methyl)-4-fluoropiperidine-1-carboxylate 
• 1137478-12-6 5-(4-((4-fluoropiperidin-4-yl)methylamino)-5-(4-methoxyphenyl)pyridin-2-ylamino)pyrazine-2-carbonitrile 
• 1137478-11-5 tert-butyl 4-((2-chloro-5-(4-methoxyphenyl)pyridin-4-ylamino)methyl)-4-fluoropiperidine-1-carboxylate 
• 918431-90-0 tert-butyl 4-fluoro-4-((tosyloxy)methyl)piperidine-1-carboxylate 
• 1331776-16-9 4-[6-butyl-5-(4-cyclohexyloxyphenyl)pyridazin-3-yloxymethyl]-4-fluoropiperidine-1-carboxylic acid tert-butyl ester 
• 845909-49-1 ethyl 4-fluoropiperidine-4-carboxylate hydrochloride 
• 618900-67-7 C₁₁H₁₇FNO₄^(1-)*Li⁽¹⁺⁾ 
• 845958-77-2 4-fluoro-piperidine-4-carboxylicacid ethyl ester 
• 918431-92-2 4-carbamoyl-4-fluoro-piperidine-1-carboxylic acid tert-butyl ester 

Relevant articles and documents

CASPASE INHIBITOR AND PHARMACEUTICAL COMPOSITION, USE AND THERAPEUTIC METHOD THEREOF

Disclosed are a class of compounds as a caspase inhibitor, and in particular the compound as shown in formula (I) or a pharmaceutically acceptable salt thereof, and the use of the compound in treating caspase-related diseases.

N-SULFONYLATED PYRAZOLO[3,4-B]PYRIDIN-6-CARBOXAMIDES AND METHOD OF USE

The present invention provides for compounds of formula (I) wherein R1, R2, R3, R4, R5, and R6 have any of the values defined in the specification, and pharmaceutically acceptable salts thereof, that are useful as agents in the treatment of diseases and conditions mediated and modulated by CFTR, including cystic fibrosis, Sj?gren's syndrome, pancreatic insufficiency, chronic obstructive lung disease, and chronic obstructive airway disease. Also provided are pharmaceutical compositions comprised of one or more compounds of formula (I).

Discovery of a novel series of quinolone α7 nicotinic acetylcholine receptor agonists

High throughput screening led to the identification of a novel series of quinolone α7 nicotinic acetylcholine receptor (nAChR) agonists. Optimization of an HTS hit (1) led to 4-phenyl-1-(quinuclidin-3-ylmethyl) quinolin-2(1H)-one, which was found to be potent and selective. Poor brain penetrance in this series was attributed to transporter-mediated efflux, which was in turn due to high pKa. A novel 4-fluoroquinuclidine significantly lowered the pKa of the quinuclidine moiety, reducing efflux as measured by a Caco-2 assay.