TRIETHYL 4-PHOSPHONOBUTYRATE

The Butanoic acid,4-(diethoxyphosphinyl)-, ethyl ester, with the CAS registry number 2327-69-7, is also known as Diethyl (3-carbethoxypropyl)phosphonate. This chemical's molecular formula is C₁₀H₂₁O₅P and molecular weight is 252.244501. Its IUPAC name is called ethyl 4-diethoxyphosphorylbutanoate. This chemical is clear light yellow liquid.

Physical properties of Butanoic acid,4-(diethoxyphosphinyl)-, ethyl ester: (1)ACD/LogP: 1.30; (2)#H bond acceptors: 5; (3)#Freely Rotating Bonds: 10; (4)Index of Refraction: 1.43; (5)Molar Refractivity: 60.51 cm³; (6)Molar Volume: 233.9 cm³; (7)Surface Tension: 34.2 dyne/cm; (8)Density: 1.078 g/cm³; (9)Flash Point: 166.3 °C; (10)Enthalpy of Vaporization: 57.11 kJ/mol; (11)Boiling Point: 328.7 °C at 760 mmHg; (12)Vapour Pressure: 0.000187 mmHg at 25°C.

Preparation: this chemical can be prepared by phosphorous acid triethyl ester and 4-bromo-butyric acid ethyl ester. The reaction temperature is 150 - 200 °C.

Uses of Butanoic acid,4-(diethoxyphosphinyl)-, ethyl ester: it can be used to produce 4-phosphono-butyric acid by heating. This reaction will need reagent conc. hydrochloric acid with reaction time of 20 hours. The yield is about 95%.

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)CCCP(=O)(OCC)OCC
(2)InChI: InChI=1S/C10H21O5P/c1-4-13-10(11)8-7-9-16(12,14-5-2)15-6-3/h4-9H2,1-3H3
(3)InChIKey: FYESTJSRASJZOY-UHFFFAOYSA-N