423971

Ethyl 4-pyridylacetate

97%

• Empirical Formula (Hill Notation): C₉H₁₁NO₂
• CAS Number: 54401-85-3
• Molecular Weight: 165.19
• EC Number: 259-150-2
• MDL number: MFCD00051830
• UNSPSC Code: 12352100
• PubChem Substance ID: 24866543
• NACRES: NA.22

Properties

• assay: 97%
• refractive index: n20/D 1.499 (lit.)
• bp: 127-128 °C/14 mmHg (lit.)
• mp: 18-19 °C (lit.)
• density: 1.079 g/mL at 25 °C (lit.)
• SMILES string: CCOC(=O)Cc1ccncc1
• InChI: 1S/C9H11NO2/c1-2-12-9(11)7-8-3-5-10-6-4-8/h3-6H,2,7H2,1H3
• InChI key: QVLJLWHOILVHJJ-UHFFFAOYSA-N

Description

General description

Ethyl 4-pyridylacetate is an ethyl ester of 4-pyridyl acetic acid. Its hydrochloride salt was used to prepare the starting material required for the synthesis of 2,2-dideutero-1-azabicyclo(2,2,2)-octane. It participates as a reagent in the synthesis of triarylethane phosphodiesterase 4 inhibitors.

Application

Ethyl 4-pyridylacetate is a pyridine-based compound used for the grafting onto the self-adhesive gold substrates.
It may be used for the the following:

• As a starting material in the synthesis of 4-piperidylethanol.
• As a reactant in the synthesis of 4-(pyridyl) isosteres of meperidine.
• As a starting material in the synthesis of ethyl-4-piperidylacetate.

Safety Information

• pictograms: GHS07
• signalword: Warning
• hcodes: H315,H319,H335
• pcodes: P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338
• Hazard Classifications: Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3
• target_organs: Respiratory system
• Storage Class: 10 - Combustible liquids
• wgk_germany: WGK 3
• flash_point_f: 235.4 °F - closed cup
• flash_point_c: 113 °C - closed cup
• ppe: Eyeshields, Gloves, type ABEK (EN14387) respirator filter