| Identification | |
| Name: | 3-Pyridinepropanoicacid, b-oxo-, ethyl ester |
| Synonyms: | 3-Pyridinepropionicacid, b-oxo-, ethyl ester (6CI,7CI,8CI);3-Oxo-3-(pyridin-3-yl)propionic acid ethyl ester;Ethyl 3-(3-pyridyl)-3-oxopropionate;Ethyl 3-oxo-3-(3-pyridinyl)propanoate;Ethyl 3-oxo-3-(3-pyridinyl)propionate;Ethyl nicotinoylacetate;NSC 32400;NSC 7725; |
| CAS: | 6283-81-4 |
| Molecular Formula: | C10H11NO3 |
| Molecular Weight: | 193.2 |
| InChI: | InChI=1/C10H11NO3/c1-2-14-10(13)6-9(12)8-4-3-5-11-7-8/h3-5,7H,2,6H2,1H3 |
| Molecular Structure: |  |
| Properties | |
| Density: | 1.155 g/cm3 |
| Refractive index: | 1.51 |
| Specification: |
The Ethyl 3-oxo-3-(3-pyridyl)propionate, with the cas registry number 6283-81-4, has the IUPAC name of ethyl 3-oxo-3-pyridin-3-ylpropanoate. And the molecular formula of the chemical is C10H11NO3. The characteristics of this chemical are as followings: (1)ACD/LogP: 0.68; (2)# of Rule of 5 Violations: 0 ; (3)#H bond acceptors: 4; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 56.26 Å2; (7)Index of Refraction: 1.51; (8)Molar Refractivity: 50.04 cm3; (9)Molar Volume: 167.1 cm3; (10)Polarizability: 19.83×10-24cm3; (11)Surface Tension: 44 dyne/cm; (12)Density: 1.155 g/cm3; (13)Flash Point: 134.1 °C; (14)Enthalpy of Vaporization: 53.79 kJ/mol; (15)Boiling Point: 298 °C at 760 mmHg; (16)Vapour Pressure: 0.0013 mmHg at 25°C. Uses of Ethyl 3-oxo-3-(3-pyridyl)propionate: It can react with 5-amino-1,2-dihydro-pyrazol-3-one to produce 2,3-dihydro-6-hydroxy-3-oxo-4-(b-pyridyl)-pyrazolo[3,4-b]pyridine. This reaction will need reagent AcOH, and reaction time is 2 hours with heating. The yield is about 74.5%. Addtionally, the following datas could be converted into the molecular structure: |
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