Ethyl (2E)-3-{2-[(2,2-dimethylpropanoyl)amino]-3-pyridinyl}acrylate
[CAS# 882029-13-2]

Identification

• Name: Ethyl (2E)-3-{2-[(2,2-dimethylpropanoyl)amino]-3-pyridinyl}acrylate
• Synonyms: 2-Propenoic acid,3-[2-[(2,2-dimethyl-1-oxopropyl)amino]-3-pyridinyl]-,ethyl ester; 3-[2-(2,2-DIMETHYL-PROPIONYLAMINO)-PYRIDIN-3-YL]-ACRYLIC ACID ETHYL ESTER; Ethyl (2E)-3-[2-(2,2-Dimethylpropanamido)Pyridin-3-Yl]Prop-2-Enoate
• Molecular Formula: C₁₅H₂₀N₂O₃
• Molecular Weight: 276.33
• CAS Registry Number: 882029-13-2
• SMILES: O=C(Nc1ncccc1/C=C/C(=O)OCC)C(C)(C)C
• InChI: 1S/C15H20N2O3/c1-5-20-12(18)9-8-11-7-6-10-16-13(11)17-14(19)15(2,3)4/h6-10H,5H2,1-4H3,(H,16,17,19)/b9-8+
• InChIKey: FRJWOJJLXVTBCQ-CMDGGOBGSA-N

Properties

• Density: 1.138g/cm³ (Cal.)
• Boiling point: 458.576°C at 760 mmHg (Cal.)
• Flash point: 231.139°C (Cal.)
• Refractive index: 1.567 (Cal.)

References

• (1): S. S. Golotvin, E. Vodopianov, R. Pol, B. A. Lefebvre, A. J. Williams, R. D. Rutkowske and T. D. Spitzer. Automated structure verification based on a combination of 1D 1H NMR and 2D 1H–13C HSQC spectra, Magn. Reson. Chem. 2007, 45, 803–813