5006-62-2

Basic information

• Product Name: Ethyl nipecotate
• Synonyms: RARECHEM AH CK 0179;PIPERIDINE-3-CARBOXYLIC ACID ETHYL ESTER;NIPECOTIC ACID ETHYL ESTER;NIPECOTINIC ACID ETHYL ESTER;3-PIPERIDINECARBOXYLIC ACID ETHYL ESTER;LABOTEST-BB LT00159659;ETHYL 3-PIPERIDINECARBOXYLATE;ETHYL NIPECOTINATE
• CAS NO: 5006-62-2
• Molecular Formula: C₈H₁₅NO₂
• Molecular Weight: 157.21
• EINECS: 225-681-3
• Product Categories: Nitrogen cyclic compounds;Miscellaneous;Piperidine;API intermediates;Piperazine
• Mol File: 5006-62-2.mol

Chemical Properties

• Melting Point: 165-167 °C
• Boiling Point: 102-104 °C7 mm Hg(lit.)
• Flash Point: 195 °F
• Appearance: Clear colorless to yellow-brown/Liquid
• Density: 1.012 g/mL at 25 °C(lit.)
• Vapor Pressure: 0.042mmHg at 25°C
• Refractive Index: n20/D 1.460(lit.)
• Storage Temp.: under inert gas (nitrogen or Argon) at 2–8 °C
• PKA: 9.35±0.10(Predicted)
• Water Solubility: miscible
• Sensitive: Air Sensitive
• BRN: 118388
• CAS DataBase Reference: Ethyl nipecotate(CAS DataBase Reference)
• NIST Chemistry Reference: Ethyl nipecotate(5006-62-2)
• EPA Substance Registry System: Ethyl nipecotate(5006-62-2)

Safety Data

• Hazard Codes: Xi,C
• Statements: 36/37/38-34-20/21/22
• Safety Statements: 26-36/37/39-45-36-24/25-23
• RIDADR: UN2735
• WGK Germany: 3
• Hazardous Substances Data: 5006-62-2(Hazardous Substances Data)

Usage

Uses

Used in Pharmaceutical Synthesis:
Ethyl nipecotate is used as an intermediate in the synthesis of cyanothiophene inhibitors of peptidoglycan biosynthesis. These inhibitors are important for the development of new antibiotics, as they target the bacterial cell wall synthesis process, which is essential for bacterial growth and survival.
Used in Chemical Synthesis:
Ethyl nipecotate is also used in the synthesis of various chemical compounds, such as α,α′-bis[3-(N,N-diethylcarbamoyl)-piperidino]-p-xylene and 2-amino-4-thiazolyl derivative of 3-(iso-propyl-3-piperidinyl)phenol. These compounds have potential applications in various industries, including pharmaceuticals, agrochemicals, and materials science.

InChI:InChI=1/C8H15NO2/c1-2-11-8(10)7-4-3-5-9-6-7/h7,9H,2-6H2,1H3/p+1/t7-/m1/s1

Downstream Products

• 86543-02-4 1-(2-Cyano-4,5-dimethoxy-phenylthiocarbamoyl)-piperidine-3-carboxylic acid ethyl ester 
• 80030-55-3 1-{[(Z)-2-Cyano-4,5-dimethoxy-phenylimino]-methylsulfanyl-methyl}-piperidine-3-carboxylic acid ethyl ester 
• 86543-03-5 1-(2-Cyano-4,5-dimethoxy-phenylthiocarbamoyl)-piperidine-3-carboxylic acid ethyl ester 
• 80030-56-4 1-{[(Z)-2-Cyano-4,5-dimethoxy-phenylimino]-methylsulfanyl-methyl}-piperidine-3-carboxylic acid ethyl ester