DIETHYL AMINOMETHYLENEMALONATE

The cas register number of Diethyl aminomethylenemalonate is 6296-99-7. It also can be called as Propanedioic acid,2-(aminomethylene)-, 1,3-diethyl ester and the IUPAC Name about this chemical is diethyl 2-(aminomethylidene)propanedioate. 

Physical properties about Diethyl aminomethylenemalonate are: (1)ACD/LogP: 0.23; (2)#H bond acceptors: 5; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 7; (5)Polar Surface Area: 55.84Ų; (6)Index of Refraction: 1.471; (7)Molar Refractivity: 46.09 cm3; (8)Molar Volume: 164.6 cm3; (9)Polarizability: 18.27 10-24cm3; (10)Surface Tension: 39.3 dyne/cm; (11)Enthalpy of Vaporization: 50.12 kJ/mol; (12)Boiling Point: 263.4 °C at 760 mmHg; (13)Vapour Pressure: 0.0103 mmHg at 25°C.

Preparation: this chemical can be prepared by 5-ethoxy-isoxazole-4-carboxylic acid ethyl ester. This reaction will need reagent H2, catalyst 5percent Pd/C and solvent ethanol. The reaction time is 10 hour(s) with reaction temperature of 20 ℃. The yield is about 94%.

Uses of Diethyl aminomethylenemalonate: it can be used to produce N,N-Dimethyl-N'-(b-dicarbethoxyvinyl)formamidine with diethoxymethyl-dimethyl-amine at Heating. This reaction will need solvent xylene with reaction time of 15 min. The yield is about 64%.

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

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)\C(=C/N)C(=O)OCC
(2)InChI: InChI=1/C8H13NO4/c1-3-12-7(10)6(5-9)8(11)13-4-2/h5H,3-4,9H2,1-2H3
(3)InChIKey: WDTWMEZMHUEZKH-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C8H13NO4/c1-3-12-7(10)6(5-9)8(11)13-4-2/h5H,3-4,9H2,1-2H3
(5)Std. InChIKey: WDTWMEZMHUEZKH-UHFFFAOYSA-N