CAS No.26377-17-3,ETHYL ISONICOTINOYLACETATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	26377-17-3
Name:	ETHYL ISONICOTINOYLACETATE
Article Data:	28

Formula:	C₁₀H₁₁NO₃
Molecular Weight:	193.202
Synonyms:	4-Pyridinepropionicacid, b-oxo-, ethyl ester (6CI,7CI,8CI);3-Oxo-3-(pyridin-4-yl)propanoic acid ethyl ester;3-Oxo-3-pyridin-4-ylpropionicacid ethyl ester;Ethyl 3-(4-pyridyl)-3-oxopropionate;Ethyl3-(pyridin-4-yl)-3-oxopropanoate;Ethyl 3-(pyridin-4-yl)-3-oxopropionate;Ethyl3-oxo-3-(4-pyridinyl)propanoate;Ethyl 3-oxo-3-(4-pyridyl)propanoate;Ethyl3-oxo-3-(4-pyridyl)propionate;Ethyl isonicotinoylacetate;Ethyl b-oxo-4-pyridinepropanoate;Isonicotinoylacetic acid ethyl ester;
EINECS:	247-635-1
Density:	1.156 g/cm³
Melting Point:	53-59 °C
Boiling Point:	291.966 °C at 760 mmHg
Flash Point:	130.377 °C
Appearance:	off-white to yellow-brown crystalline powder
Hazard Symbols:	Xi
Safety:	24/25
PSA:	56.26000
LogP:	1.21750

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Specification

This chemical is called Ethyl 3-(4-pyridyl)-3-oxopropionate, and it can also be named as 4-Pyridinepropanoic acid, β-oxo-, ethyl ester. With the molecular formula of C₁₀H₁₁NO₃, its molecular weight is 193.20. The CAS registry number of this chemical is 26377-17-3. Please avoid contacting with skin and eyes if you use it.

Other characteristics of the Ethyl 3-(4-pyridyl)-3-oxopropionate can be summarised as followings: (1)ACD/LogP: 0.44; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.44; (4)ACD/LogD (pH 7.4): 0.43; (5)ACD/BCF (pH 5.5): 1.27; (6)ACD/BCF (pH 7.4): 1.24; (7)ACD/KOC (pH 5.5): 41.35; (8)ACD/KOC (pH 7.4): 40.22; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 56.26 Å²; (13)Index of Refraction: 1.51; (14)Molar Refractivity: 50.04 cm³; (15)Molar Volume: 167.1 cm³; (16)Polarizability: 19.83×10^-24cm³; (17)Surface Tension: 44 dyne/cm; (18)Density: 1.155 g/cm³; (19)Flash Point: 130.4 °C; (20)Enthalpy of Vaporization: 53.14 kJ/mol; (21)Boiling Point: 292 °C at 760 mmHg; (22)Vapour Pressure: 0.00189 mmHg at 25°C.

Production method of this chemical: The Ethyl 3-(4-pyridyl)-3-oxopropionate could be obtained by the reactants of isonicotinic acid ethyl ester and acetic acid ethyl ester. This reaction needs the reagents of NaH, ethanol. The yield is 90 %. In addition, this reaction should be taken for 17 hours. The other condition is heating.

Uses of this chemical: The Ethyl 3-(4-pyridyl)-3-oxopropionate could react with 5-amino-1,2-dihydro-pyrazol-3-one, and obtain the 2,3-dihydro-6-hydroxy-3-oxo-4-(γ-pyridyl)-pyrazolo[3,4-b]pyridine. This reaction needs the reagent of AcOH. The yield is 73.8 %. In addition, this reaction should be taken for 2 hours. The other condition is heating.

You can still convert the following datas into molecular structure:
1.SMILES: O=C(c1ccncc1)CC(=O)OCC
2.InChI: InChI=1/C10H11NO3/c1-2-14-10(13)7-9(12)8-3-5-11-6-4-8/h3-6H,2,7H2,1H3
3.InChIKey: PCJNYGPKMQQCPX-UHFFFAOYAR