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Ethyl 4-pyridylacetate - 98%, high purity , CAS No.54401-85-3

COA

Grade & Purity:

≥98%

Cas Number: 54401-85-3
Molecular Weight: 165.19
Beilstein Registry Number: 22(3/4)699
EC Number: 259-150-2
MDL number: MFCD00051830
PubChem CID: 736321
PubChem SID: 488191347

In stock

Item Number

E100811

Grouped product items
SKU	Size	Availability	Price
E100811-1g	1g	9	$17.90
E100811-5g	5g	2	$69.90
E100811-25g	25g	4	$266.90
E100811-100g	100g	2	$957.90

View related series

Halogen free heterocyclic block (1207) Pyridines (1259)

Basic Description

Synonyms	AKOS005206776 \| S3S \| SCHEMBL304656 \| FT-0619455 \| ethyl 2-pyridin-4-ylethanoate \| 4-Pyridineacetic acid, ethyl ester \| ethyl-4-pyridylacetate \| ethyl pyridin-4-ylacetate \| ETHYL4-PYRIDYLACETATE \| 4-Pyridylacetic Acid Ethyl Ester \| AMY14563 \| J-650128 \| S
Specifications & Purity	≥98%
Storage Temp	Argon charged
Shipped In	Normal
Product 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 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.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyridines and derivatives

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyridines and derivatives
Subclass	Not available
Intermediate Tree Nodes	Not available
Direct Parent	Pyridines and derivatives
Alternative Parents	Heteroaromatic compounds Carboxylic acid esters Monocarboxylic acids and derivatives Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Pyridine - Heteroaromatic compound - Carboxylic acid ester - Azacycle - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

Pubchem Sid	488191347
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/488191347
IUPAC Name	ethyl 2-pyridin-4-ylacetate
INCHI	InChI=1S/C9H11NO2/c1-2-12-9(11)7-8-3-5-10-6-4-8/h3-6H,2,7H2,1H3
InChIKey	QVLJLWHOILVHJJ-UHFFFAOYSA-N
Smiles	CCOC(=O)CC1=CC=NC=C1
Isomeric SMILES	CCOC(=O)CC1=CC=NC=C1
WGK Germany	3
Molecular Weight	165.19
Beilstein	22(3/4)699
Reaxy-Rn	123786
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=123786&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

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Analytical Chart:

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8 results found

Lot Number	Certificate Type	Date	Item
E1712062	Certificate of Analysis	Jan 06, 2025	E100811
I2424313	Certificate of Analysis	Sep 05, 2024	E100811
D2310291	Certificate of Analysis	Jun 17, 2022	E100811
H2211210	Certificate of Analysis	Jun 17, 2022	E100811
G2307581	Certificate of Analysis	Jun 17, 2022	E100811
H2211209	Certificate of Analysis	Jun 17, 2022	E100811
G2307586	Certificate of Analysis	Jun 17, 2022	E100811
H2211211	Certificate of Analysis	Jun 17, 2022	E100811

Chemical and Physical Properties

Solubility	Soluble in water and hot ethanol.
Sensitivity	air sensitive
Freezing Point(°C)	19 °C
Refractive Index	1.499
Flash Point(°F)	235.4 °F
Flash Point(°C)	113 °C
Boil Point(°C)	127-128°C
Melt Point(°C)	18-19°C
Molecular Weight	165.190 g/mol
XLogP3	0.700
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	4
Exact Mass	165.079 Da
Monoisotopic Mass	165.079 Da
Topological Polar Surface Area	39.200 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	141.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

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