N-ALLYLOXYPHTHALIMIDE

The 1H-Isoindole-1,3(2H)-dione,2-(2-propen-1-yloxy)-, with the CAS registry number 39020-79-6, is also known as 2-(Allyloxy)-1H-isoindole-1,3(2H)-dione. It belongs to the product categories of N-Substituted Maleimides; Succinimides & Phthalimides; N-Substituted Phthalimides. This chemical's molecular formula is C₁₁H₉NO₃ and molecular weight is 203.19. What's more, its systematic name is 2-(prop-2-en-1-yloxy)-1H-isoindole-1,3(2H)-dione.

Physical properties of 1H-Isoindole-1,3(2H)-dione,2-(2-propen-1-yloxy)- are: (1)ACD/LogP: 1.83; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.83; (4)ACD/LogD (pH 7.4): 1.83; (5)ACD/BCF (pH 5.5): 14.46; (6)ACD/BCF (pH 7.4): 14.46; (7)ACD/KOC (pH 5.5): 235.49; (8)ACD/KOC (pH 7.4): 235.49; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 46.61 Å²; (13)Index of Refraction: 1.604; (14)Molar Refractivity: 53.47 cm³; (15)Molar Volume: 155.3 cm³; (16)Polarizability: 21.19×10^-24cm³; (17)Surface Tension: 52.7 dyne/cm; (18)Density: 1.3 g/cm³; (19)Flash Point: 146.2 °C; (20)Enthalpy of Vaporization: 55.97 kJ/mol; (21)Boiling Point: 318.2 °C at 760 mmHg; (22)Vapour Pressure: 0.000367 mmHg at 25°C.

Preparation: this chemical can be prepared by N-hydroxy-phthalimide and 3-bromo-propene at the ambient temperature. This reaction will need reagent DBU and solvents dimethylformamide; toluene with the reaction time of 0.5 hour. The yield is about 83%.

Uses of 1H-Isoindole-1,3(2H)-dione,2-(2-propen-1-yloxy)-: it can be used to produce O-allyl-hydroxylamine; hydrochloride by heating. It will need reagent hidrazine and solvents H₂O, ethanol with the reaction time of 2 hours. The yield is about 56.1%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2c1ccccc1C(=O)N2OC\C=C
(2)Std. InChI: InChI=1S/C11H9NO3/c1-2-7-15-12-10(13)8-5-3-4-6-9(8)11(12)14/h2-6H,1,7H2
(3)Std. InChIKey: XVKREICBUWCANY-UHFFFAOYSA-N