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50917-73-2

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Basic Information
CAS No.: 50917-73-2
Name: DIETHYL-N-BENZYLIDENEAMINOMETHYLPHOSPHONATE
Article Data: 11
Molecular Structure:
Molecular Structure of 50917-73-2 (DIETHYL-N-BENZYLIDENEAMINOMETHYLPHOSPHONATE)
Formula: C12H18NO3P
Molecular Weight: 255.254
Synonyms: Phosphonicacid, [[(phenylmethylene)amino]methyl]-, diethyl ester (9CI);Diethyl [(benzylideneamino)methyl]phosphonate;Diethyl [N-(benzylidene)aminomethyl]phosphonate;
Density: 1.105 g/cm3
Boiling Point: 349.797 °C at 760 mmHg
Flash Point: 165.352 °C
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-36/37/39
PSA: 57.70000
LogP: 3.32910
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Specification

The Phosphonic acid,P-[[(phenylmethylene)amino]methyl]-, diethyl ester, with the CAS registry number 50917-73-2, is also known as Diethyl [N-(benzylidene)aminomethyl]phosphonate. This chemical's molecular formula is C12H18NO3P and molecular weight is 255.25. What's more, its IUPAC name is N-(Diethoxyphosphorylmethyl)-1-phenylmethanimine.

Physical properties about Phosphonic acid,P-[[(phenylmethylene)amino]methyl]-, diethyl ester are: (1)ACD/LogP: 1.84; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 15; (6)ACD/BCF (pH 7.4): 15; (7)ACD/KOC (pH 5.5): 241; (8)ACD/KOC (pH 7.4): 241; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 57.7 Å2; (13)Index of Refraction: 1.505; (14)Molar Refractivity: 68.47 cm3; (15)Molar Volume: 230.994 cm3; (16)Polarizability: 27.144×10-24cm3; (17)Surface Tension: 40.819 dyne/cm; (18)Density: 1.105 g/cm3; (19)Flash Point: 165.352 °C; (20)Enthalpy of Vaporization: 57.085 kJ/mol; (21)Boiling Point: 349.797 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

Preparation of Phosphonic acid,P-[[(phenylmethylene)amino]methyl]-, diethyl ester: this chemical can be prepared by Benzaldehyde and Aminomethyl-phosphonic acid diethyl ester. This reaction needs reagents Na2SO4, Et3N and solvent CH2Cl2. The yield is 98%.

Phosphonic acid,P-[[(phenylmethylene)amino]methyl]-, diethyl ester can be prepared by Benzaldehyde and Aminomethyl-phosphonic acid diethyl ester.

Uses of Phosphonic acid,P-[[(phenylmethylene)amino]methyl]-, diethyl ester: it can react with 4-Bomomethyl-pyridine to give [1-(Bnzylidene-amino)-2-pyridin-4-yl-ethyl]-phosphonic acid diethyl ester. The reaction occurs with reagent LDA and solvent Tetrahydrofuran. The yield is 71.6%.

Phosphonic acid,P-[[(phenylmethylene)amino]methyl]-, diethyl ester can react with 4-Bomomethyl-pyridine to give [1-(Bnzylidene-amino)-2-pyridin-4-yl-ethyl]-phosphonic acid diethyl ester.Phosphonic acid,P-[[(phenylmethylene)amino]methyl]-, diethyl ester can react with 4-Bomomethyl-pyridine to give [1-(Bnzylidene-amino)-2-pyridin-4-yl-ethyl]-phosphonic acid diethyl ester.Phosphonic acid,P-[[(phenylmethylene)amino]methyl]-, diethyl ester can react with 4-Bomomethyl-pyridine to give [1-(Bnzylidene-amino)-2-pyridin-4-yl-ethyl]-phosphonic acid diethyl ester.

 

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. And in case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. In daaition, this chemical may cause inflammation to the skin or other mucous membranes.

You can still convert the following datas into molecular structure:
(1) SMILES: O=P(OCC)(OCC)C/N=C/c1ccccc1
(2) InChI: InChI=1/C12H18NO3P/c1-3-15-17(14,16-4-2)11-13-10-12-8-6-5-7-9-12/h5-10H,3-4,11H2,1-2H3/b13-10+
(3) InChIKey: REXOGTNRQYAOQG-JLHYYAGUBY