59086-27-0

Basic information

• Product Name: 4-OXO-4-PYRIDIN-3-YL-BUTYRIC ACID ETHYL ESTER
• Synonyms: 3-Pyridinebutanoic acid, γ-oxo-, ethyl ester
• CAS NO: 59086-27-0
• Molecular Formula: C₁₁H₁₃NO₃
• Molecular Weight: 207.23
• Product Categories: Nicotine Derivatives
• Mol File: 59086-27-0.mol
• Article Data: 5

Chemical Properties

• Boiling Point: 99-100°C/0.035 Torr
• Flash Point: 165°C
• Appearance: /
• Density: 1.128g/cm³
• Vapor Pressure: 4.8E-05mmHg at 25°C
• Refractive Index: 1.507
• Stability: Stable at RT (under Argon)
• CAS DataBase Reference: 4-OXO-4-PYRIDIN-3-YL-BUTYRIC ACID ETHYL ESTER(CAS DataBase Reference)
• NIST Chemistry Reference: 4-OXO-4-PYRIDIN-3-YL-BUTYRIC ACID ETHYL ESTER(59086-27-0)
• EPA Substance Registry System: 4-OXO-4-PYRIDIN-3-YL-BUTYRIC ACID ETHYL ESTER(59086-27-0)

Safety Data

• Hazardous Substances Data: 59086-27-0(Hazardous Substances Data)

Usage

Description

4-OXO-4-PYRIDIN-3-YL-BUTYRIC ACID ETHYL ESTER is an organic compound that serves as a key intermediate in the synthesis of various pharmaceutical compounds. It is a light yellow oil with unique chemical properties that make it a valuable precursor in the development of specific drugs.

Uses

Used in Pharmaceutical Industry:
4-OXO-4-PYRIDIN-3-YL-BUTYRIC ACID ETHYL ESTER is used as a precursor for the synthesis of N-substituted cotinine analogues and norcotinine. These compounds have potential applications in the development of new medications, particularly in the treatment of nicotine addiction and related health issues.
As a chemical intermediate, 4-OXO-4-PYRIDIN-3-YL-BUTYRIC ACID ETHYL ESTER plays a crucial role in the pharmaceutical industry, contributing to the advancement of drug discovery and development. Its unique chemical properties and versatility in synthesis make it a valuable asset in the creation of novel therapeutic agents.

InChI:InChI=1/C11H13NO3/c1-2-15-11(14)6-5-10(13)9-4-3-7-12-8-9/h3-4,7-8H,2,5-6H2,1H3

Upstream product

• 4192-31-8 4-oxo-4-(pyridin-3-yl)butanoic acid 
• 59-67-6 nicotinic acid 
• 6283-81-4 3-oxo-3-pyridin-3-yl-propionic acid ethyl ester 
• 54109-95-4 diethyl 3-pyridylcarbonylsuccinate 
• 500-22-1 3-pyridinecarboxaldehyde 
• 140-88-5 ethyl acrylate 

Downstream Products

• 250601-66-2 ethyl 4-{4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]benzyloxyimino}-4-(3-pyridyl)butyrate 

Relevant articles and documents

Chemoenzymatic and yeast-catalysed synthesis of diastereomeric ethyl γ-phenyl and γ-(n-pyridyl)paraconates

The synthesis of γ-phenyl and γ-(n-pyridyl)paraconates was accomplished by chemical reduction of their respective ketodiester precursors followed by cyclisation of the resulting hydroxy diester intermediates. The cis- and trans-lactones thus obtained were separated and separately subjected to enzymatic hydrolysis with HLAP. The cis-lactonic esters had enantiomeric excesses ranging from 94% to 99%, while for the trans-isomers the ee's ranged from 80% to 93%. The same ketodiester precursors were subjected to reduction with a series of yeasts. The absolute configuration of trans-(-)-2-pyridyl paraconic acid was assigned by means of X-ray analysis of its hydrobromide salt, while the absolute configurations of the other lactones were determined via analysis of their respective CD curves.

Neuroprotective agents and methods related thereto

Neuroprotective agents are disclosed having the following structure: wherein R1, R2, R3, R4and R5are as defined herein. Such compounds have utility in the treatment of conditions which benefit from administration of neuroprotective agents generally, including treatment of central and peripheral nervous condition as well as for promoting nerve cell differentiation. Methods of treating such conditions are also disclosed, as are pharmaceutical compositions containing one or more of the compounds of this invention.

A new synthesis of rac-nicotine.

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