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CAS No.: | 26510-52-1 |
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Name: | Ethyl picolinoylacetate |
Article Data: | 35 |
Molecular Structure: | |
Formula: | C10H11NO3 |
Molecular Weight: | 193.202 |
Synonyms: | 2-Pyridinepropionicacid, b-oxo-, ethyl ester (6CI,8CI);3-Oxo-3-(pyridin-2-yl)propionic Acid Ethyl Ester;Ethyl 2-pyridylcarbonylacetate;Ethyl 3-(2-pyridyl)-3-oxopropionate;Ethyl 3-(pyridin-2-yl)-3-oxopropanoate;Ethyl 3-oxo-3-(2-pyridinyl)propanoate;ethyl 3-oxo-3-(pyridin-2-yl)propanoate; |
Density: | 1.156 g/cm3 |
Boiling Point: | 276.584 °C at 760 mmHg |
Flash Point: | 121.074 °C |
Appearance: | clear straw-yellow to brown liquid |
Hazard Symbols: | Xi |
Risk Codes: | 36 |
Safety: | 24/25 |
PSA: | 56.26000 |
LogP: | 1.21750 |
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This chemical is called Ethyl 3-oxo-3-(2-pyridyl)propanoate, and its CAS registry number is 26510-52-1. With the molecular formula of C10H11NO3, its molecular weight is 193.20. In addition, this chemical should be sealed in the cool and dry plcace. Please avoid contcating it with skin and eyes if you use it.
Other characteristics of the Ethyl 3-oxo-3-(2-pyridyl)propanoate can be summarised as followings: (1)ACD/LogP: 1.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.275; (4)ACD/LogD (pH 7.4): 1.275; (5)ACD/BCF (pH 5.5): 5.479; (6)ACD/BCF (pH 7.4): 5.478; (7)ACD/KOC (pH 5.5): 117.493; (8)ACD/KOC (pH 7.4): 117.484; (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: 1.511; (14)Molar Refractivity: 50.046 cm3; (15)Molar Volume: 167.19 cm3; (16)Polarizability: 19.84×10-24cm3; (17)Surface Tension: 44.037 dyne/cm; (18)Density: 1.156 g/cm3; (19)Flash Point: 121.074 °C; (20)Enthalpy of Vaporization: 51.51 kJ/mol; (21)Boiling Point: 276.584 °C at 760 mmHg; (22)Vapour Pressure: 0.005 mmHg at 25°C.
Uses of this chemical: The Ethyl 3-oxo-3-(2-pyridyl)propanoate could react with 1-methyl-1H-pyrazol-3-ylamine, and obtain the 1-methyl-5-pyridin-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one. This reaction needs the reagent of polyphosphoric acid. The yield is 75.4 %. In addition, this reaction should be taken for 80 minutes at the temperature of 120 °C.
You can still convert the following datas into molecular structure:
1.SMILES: CCOC(=O)CC(=O)c1ccccn1
2.InChI: InChI=1/C10H11NO3/c1-2-14-10(13)7-9(12)8-5-3-4-6-11-8/h3-6H,2,7H2,1H3
3.InChIKey: FQHXWZMJALFSJJ-UHFFFAOYAE