DIETHYL CYCLOHEXYLAMINOVINYL PHOSPHATE

Diethyl (2-(cyclohexylamino)vinyl)phosphonate is an organic compound with the formula C₁₂H₂₄NO₃P, and its systematic name is the same with the product name. With the CAS registry number 20061-84-1, it is also named as Phosphonic acid, 2-(cyclohexylamino)ethenyl-, diethyl ester. Its EINECS number is 243-492-4. In addition, the molecular weight is 261.30.

Physical properties of Diethyl (2-(cyclohexylamino)vinyl)phosphonate are: (1)ACD/LogP: 3.257; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.05; (4)ACD/LogD (pH 7.4): 3.25; (5)ACD/BCF (pH 5.5): 108.27; (6)ACD/BCF (pH 7.4): 174.49; (7)ACD/KOC (pH 5.5): 867.02; (8)ACD/KOC (pH 7.4): 1397.29; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 57.37 Å²; (13)Index of Refraction: 1.471; (14)Molar Refractivity: 69.326 cm³; (15)Molar Volume: 248.117 cm³; (16)Polarizability: 27.483×10^-24cm³; (17)Surface Tension: 35.81 dyne/cm; (18)Density: 1.053 g/cm³; (19)Flash Point: 169.674 °C; (20)Enthalpy of Vaporization: 60.226 kJ/mol; (21)Boiling Point: 356.944 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

Preparation of Diethyl (2-(cyclohexylamino)vinyl)phosphonate: this chemical can be prepared by cyclohexylamine and (2-oxo-ethyl)-phosphonic acid diethyl ester at the ambient temperature. This reaction will need solvent acetonitrile with the reaction time of 15 hours. The yield is about 70%.

Uses of Diethyl (2-(cyclohexylamino)vinyl)phosphonate: it can be used to produce (2-cycloheptylidene-ethylidene)-cyclohexyl-amine. It will need reagent NaH and solvent tetrahydrofuran with the reaction time of 2 hours. The yield is about 47.6%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=P(OCC)(OCC)C=CNC1CCCCC1
(2)Std. InChI: InChI=1S/C12H24NO3P/c1-3-15-17(14,16-4-2)11-10-13-12-8-6-5-7-9-12/h10-13H,3-9H2,1-2H3
(3)Std. InChIKey: GCOCYGLSBKOTBU-UHFFFAOYSA-N