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54401-85-3

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54401-85-3 Structure

54401-85-3 Structure

Identification	More
[Name] ETHYL 4-PYRIDYLACETATE
[CAS] 54401-85-3
[Synonyms] 4-PYRIDINEACETIC ACID ETHYL ESTER 4-PYRIDYLACETIC ACID ETHYL ESTER ETHYL 4-PYRIDINEACETATE ETHYL 4-PYRIDYLACETATE ETHYL PYRIDINE-4-ACETATE Pyridine-4-Acetic Acid Ethyl Ester Ethyl4-pyridylacetate,98% Ethyl Pyridin-4-ylacetate
[EINECS(EC#)] 259-150-2
[Molecular Formula] C9H11NO2
[MDL Number] MFCD00051830
[Molecular Weight] 165.19
[MOL File] 54401-85-3.mol

Chemical Properties	Back Directory
[Melting point ] 18-19 °C (lit.)
[Boiling point ] 127-128 °C/14 mmHg (lit.)
[density ] 1.079 g/mL at 25 °C(lit.)
[refractive index ] n20/D 1.499(lit.)
[Fp ] >230 °F
[storage temp. ] Inert atmosphere,Room Temperature
[pka] 5.33±0.10(Predicted)
[BRN ] 123786
[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] C1=NC=CC(CC(OCC)=O)=C1
[CAS DataBase Reference] 54401-85-3(CAS DataBase Reference)

Safety Data	Back Directory
[Symbol(GHS) ] GHS07
[Signal word ] Warning
[Hazard statements ] H315-H319-H335
[Precautionary statements ] P280a-P304+P340-P405-P501a-P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313-P261-P305+P351+P338
[Hazard Codes ] Xi
[Risk Statements ] R36/37/38:Irritating to eyes, respiratory system and skin .
[Safety Statements ] S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice . S36:Wear suitable protective clothing .
[WGK Germany ] 3
[HS Code ] 29333999

Raw materials And Preparation Products	Back Directory
[Raw materials] Ethanol-->Tetrahydrofuran-->Thionyl chloride-->Carbon dioxide-->Sodium amide-->4-Methylpyridine
[Preparation Products] 4-(4-Pyridylmethyl)-1(2H)-phtalazinone-->Methyl 4-pyridylacetate hydrochloride-->Pyridine-4-acetamide-->2-(dimethylamino)-2-(pyridin-4-yl)acetic acid-->(+/-) 3-Ethyl-3-(4-pyridinyl)-2,6-piperidinedione-->Ethyl 1-(pyridin-4-yl)cyclopropanecarboxylate

Hazard Information	Back Directory
[Uses] 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.
[Uses] Ethyl 4-Pyridylacetate shows potential ability as an anticonvulsant and also exhibits neuropathic pain-attenuating properties.
[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.

Spectrum Detail	Back Directory
[Spectrum Detail] ETHYL 4-PYRIDYLACETATE(54401-85-3)¹HNMR ETHYL 4-PYRIDYLACETATE(54401-85-3)IR1

Well-known Reagent Company Product Information	Back Directory
[Alfa Aesar] Ethyl 4-pyridineacetate, 98%(54401-85-3)
[Sigma Aldrich] 54401-85-3(sigmaaldrich)
[TCI AMERICA] Ethyl 4-Pyridylacetate,>98.0%(GC)(T)(54401-85-3)

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