72551-53-2

Basic information

• Product Name: ETHYL 1-BENZYLPIPERIDINE-3-CARBOXYLATE
• Synonyms: 1-BENZYL-PIPERIDINE-3-CARBOXYLIC ACID ETHYL ESTER;ETHYL 1-BENZYLPIPERIDINE-3-CARBOXYLATE;1-Benzyl-piperidine-3-carboxylic acid ethal ester;Ethyl 1-benzylpiperidine-3-carboxylate 98%;1-Benzylpiperidine-3-carbonsSreethylester;3-Piperidinecarboxylic acid, 1-(phenylMethyl)-, ethyl ester;Ethyl 1-(Phenylmethyl)-3-piperidinecarboxylate;Ethyl 1-benzyl-3-piperidinecarboxylate
• CAS NO: 72551-53-2
• Molecular Formula: C₁₅H₂₁NO₂
• Molecular Weight: 247.33
• Mol File: 72551-53-2.mol
• Article Data: 13

Chemical Properties

• Boiling Point: 125-128°C 2mm
• Flash Point: 110.7 °C
• Appearance: /
• Density: 1.075 g/cm³
• Vapor Pressure: 0.000208mmHg at 25°C
• Refractive Index: 1.533
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 7.98±0.10(Predicted)
• CAS DataBase Reference: ETHYL 1-BENZYLPIPERIDINE-3-CARBOXYLATE(CAS DataBase Reference)
• NIST Chemistry Reference: ETHYL 1-BENZYLPIPERIDINE-3-CARBOXYLATE(72551-53-2)
• EPA Substance Registry System: ETHYL 1-BENZYLPIPERIDINE-3-CARBOXYLATE(72551-53-2)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39
• Hazardous Substances Data: 72551-53-2(Hazardous Substances Data)

Usage

Description

ETHYL 1-BENZYLPIPERIDINE-3-CARBOXYLATE is a chemical compound belonging to the piperidine family, characterized by the molecular formula C17H23NO2. It features an ethyl ester and a benzyl group, which may contribute to its potential applications in medicinal chemistry and drug development due to its unique structural and pharmacological properties. Careful handling and adherence to safety precautions are essential when working with this compound in a laboratory setting.

Uses

Used in Medicinal Chemistry:
ETHYL 1-BENZYLPIPERIDINE-3-CARBOXYLATE is used as a chemical intermediate for the synthesis of various pharmaceutical compounds. Its structural features allow it to be a promising candidate in the development of new drugs with potential therapeutic applications.
Used in Drug Development:
In the pharmaceutical industry, ETHYL 1-BENZYLPIPERIDINE-3-CARBOXYLATE is utilized as a key component in the design and synthesis of novel drug molecules. Its presence in these molecules can influence their pharmacological properties, such as potency, selectivity, and bioavailability, making it a valuable asset in the drug discovery process.
Used in Research and Development:
ETHYL 1-BENZYLPIPERIDINE-3-CARBOXYLATE serves as a valuable research tool in academic and industrial laboratories. It can be used to study the structure-activity relationships of various drug candidates and to investigate the mechanisms of action of different pharmacological agents.
Used in Chemical Synthesis:
As a member of the piperidine family, ETHYL 1-BENZYLPIPERIDINE-3-CARBOXYLATE can be employed as a building block in the synthesis of more complex organic molecules. Its versatility in chemical reactions allows it to be a useful component in the preparation of a wide range of compounds with diverse applications.

InChI:InChI=1/C15H21NO2/c1-2-18-15(17)14-9-6-10-16(12-14)11-13-7-4-3-5-8-13/h3-5,7-8,14H,2,6,9-12H2,1H3

Upstream product

• 100-44-7 benzyl chloride 
• 71962-74-8 Ethyl nipecotate 
• 72551-50-9 N-benzyl-3-(ethoxycarbonyl)pyridinium bromide 
• 100-39-0 benzyl bromide 

Downstream Products

• 307532-02-1 3-amino-1-benzylpiperidine dihydrochloride 
• 478828-62-5 (1-benzylpiperidin-3-yl)carbamic acid tert-butyl ester 
• 145022-01-1 1-benzyl-3-(formylmethyl)piperidine 
• 50586-10-2 1-Benzyl-3-methylenepiperidin-2-one 
• 1047675-60-4 ethyl 1-benzyl-3-(3-bromopropyl)piperidine-3-carboxylate 
• 145022-00-0 1-benzyl-3-formylpiperidine 
• 85387-44-6 1-benzyl-3-(hydroxymethyl)piperidine 

Relevant articles and documents

Novel 1,5-diaryl pyrazole-3-carboxamides as selective COX-2/sEH inhibitors with analgesic, anti-inflammatory, and lower cardiotoxicity effects

COX-2 selective drugs have been withdrawn from the market due to cardiovascular side effects, just a few years after their discovery. As a result, a new series of 1,5-diaryl pyrazole carboxamides 19–31 was synthesized as selective COX-2/sEH inhibitors wit

Synthesis, biological evaluation, docking study and ulcerogenicity profiling of some novel quinoline-2-carboxamides as dual COXs/LOX inhibitors endowed with anti-inflammatory activity

A series of novel quinoline-2-carboxamides 15–28 was synthesized and evaluated in?vitro as dual COXs/LOX inhibitors. Compounds 19 and 27 exhibited the highest potency and selectivity for COX-2 inhibitory activity (IC50?=?1.21 and 1.13?μM, respe

A simple iridicycle catalyst for efficient transfer hydrogenation of n-heterocycles in water

A cyclometalated iridium complex is shown to catalyse the transfer hydrogenation of various nitrogen heterocycles, including but not limited to quinolines, isoquinolines, indoles and pyridinium salts, in an aqueous solution of HCO2H/HCO2Na under mild conditions. The catalyst shows excellent functional-group compatibility and high turnover number (up to 7500), with catalyst loadings as low as 0.01 mol % being feasible. Mechanistic investigation of the quinoline reduction suggests that the transfer hydrogenation proceeds via both 1,2- and 1,4-addition pathways, with the catalytic turnover being limited by the step of hydride transfer. An easily accessible iridicycle catalyst effects the transfer hydrogenation of a wide variety of N-heterocycles in water, including quinolines, isoquinolines, indoles, quinoxalines, and pyridines. The catalyst shows excellent functional-group compatibility and high turnover number (up to 7500), even with low catalyst loadings.