DIETHYL 2,2-DIETHOXYETHYLPHOSPHONATE

The Phosphonic acid,P-(2,2-diethoxyethyl)-, diethyl ester, with the CAS registry number 7598-61-0, is also known as Diethylphosphonoacetaldehyde diethyl acetal. It belongs to the product categories of Wittig Reagents; Horner-Emmons Reaction; Synthetic Organic Chemistry; Wittig & Horner-Emmons Reaction. Its EINECS registry number is 231-504-0. This chemical's molecular formula is C₁₀H₂₃O₅P and molecular weight is 254.26. What's more, its IUPAC name is 2-Diethoxyphosphoryl-1,1-diethoxyethane. Additionally, it should be preserved hermetically and put in a cool, dry place. It is colourless oil.

Physical properties about Phosphonic acid,P-(2,2-diethoxyethyl)-, diethyl ester: (1)ACD/LogP: 0.69; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.69; (4)ACD/LogD (pH 7.4): 0.69; (5)ACD/BCF (pH 5.5): 1.97; (6)ACD/BCF (pH 7.4): 1.97; (7)ACD/KOC (pH 5.5): 56.54; (8)ACD/KOC (pH 7.4): 56.54; (9)#H bond acceptors: 5; (10)#H bond donors: 0 ; (11)#Freely Rotating Bonds: 10; (12)Polar Surface Area: 63.8 Å²; (13)Index of Refraction: 1.424; (14)Molar Refractivity: 62.19 cm³; (15)Molar Volume: 243.5 cm³; (16)Surface Tension: 31.7 dyne/cm; (17)Density: 1.043 g/cm³; (18)Flash Point: 155.5 °C; (19)Enthalpy of Vaporization: 49.91 kJ/mol; (20)Boiling Point: 281.2 °C at 760 mmHg; (21)Vapour Pressure: 0.00614 mmHg at 25 °C.

Preparation of Phosphonic acid,P-(2,2-diethoxyethyl)-, diethyl ester: It can be obtained by Phosphorous acid triethyl ester and 2-Bromo-1,1-diethoxy-ethane. The reaction occurs at temperature of 160°C for 3 hours. The yield is 70%.

Uses of Phosphonic acid,P-(2,2-diethoxyethyl)-, diethyl ester: it is used to produce other chemicals. For example, it can react with Propane-1,3-dithiol to get [1,3]Dithian-2-ylmethyl-phosphonic acid diethyl ester. The reaction occurs with reagent BF₃*Et₂O and solvent CH₂Cl₂ at ambient temperature for 12 hours. The yield is 59%.

When you are dealing with this chemical, you should be very careful. This chemical is inflammation to the skin, eyes and respiratory systemmay. Therefore, you should wear suitable gloves and eye/face protection. And in case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=P(OCC)(OCC)CC(OCC)OCC
(2)InChI: InChI=1/C10H23O5P/c1-5-12-10(13-6-2)9-16(11,14-7-3)15-8-4/h10H,5-9H2,1-4H3
(3)InChIKey: LUQYELQXRPNKRY-UHFFFAOYAG