TRIETHYL 4-PHOSPHONOCROTONATE

The 2-Butenoic acid,4-(diethoxyphosphinyl)-, ethyl ester, with the CAS registry number 10236-14-3, is also known as NSC100748. It belongs to the product categories of C-C Bond Formation; Horner-Wadsworth-Emmons Reagents; Olefination. This chemical's molecular formula is C₁₀H₁₉O₅P and molecular weight is 250.228621. Its IUPAC name is called ethyl (E)-4-diethoxyphosphorylbut-2-enoate. This chemical is clear light yellow liquid.

Physical properties of 2-Butenoic acid,4-(diethoxyphosphinyl)-, ethyl ester: (1)ACD/LogP: 1.65; (2)#H bond acceptors: 5; (3)#Freely Rotating Bonds: 9; (4)Index of Refraction: 1.445; (5)Molar Refractivity: 60.57 cm³; (6)Molar Volume: 227.5 cm³; (7)Surface Tension: 34.9 dyne/cm; (8)Density: 1.099 g/cm³; (9)Flash Point: 167.6 °C; (10)Enthalpy of Vaporization: 59.78 kJ/mol; (11)Boiling Point: 352.9 °C at 760 mmHg; (12)Vapour Pressure: 3.71E-05 mmHg at 25°C.

Uses of 2-Butenoic acid,4-(diethoxyphosphinyl)-, ethyl ester: it can be used to produce 1-carboethoxy-7-azidohepta-1,3-diene at temperature of -78 °C. This reaction will need reagent n-BuLi and solvent tetrahydrofuran, hexane with reaction time of 2 hours. The yield is about 75%.

When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing and eye/face protection.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCOC(=O)C=CCP(=O)(OCC)OCC
(2)Isomeric SMILES: CCOC(=O)/C=C/CP(=O)(OCC)OCC
(3)InChI: InChI=1S/C10H19O5P/c1-4-13-10(11)8-7-9-16(12,14-5-2)15-6-3/h7-8H,4-6,9H2,1-3H3/b8-7+
(4)InChIKey: LXLODBXSCRTXFG-BQYQJAHWSA-N