1H-Isoindole-1,3(2H)-dione,2-(1-methyl-2-oxopropyl)- (2028-33-3)

The systematic name of 2-(1-Methyl-2-oxopropyl)-1H-isoindole-1,3-(2H)-dione is 2-(1-methyl-2-oxopropyl)-1H-isoindole-1,3(2H)-dione. With the CAS registry number 2028-33-3, it is also named as N-(1-Methyl-2-oxo-propyl)phthalimide. The product is white crystalline powder, which  is used as intermediate of Ftibamzone. In addition, its molecular formula is C₁₂H₁₁NO₃ and its molecular weight is 217.22.

The other characteristics of 2-(1-Methyl-2-oxopropyl)-1H-isoindole-1,3-(2H)-dione can be summarized as: (1)ACD/LogP: 1.67; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.67; (4)ACD/LogD (pH 7.4): 1.67; (5)ACD/BCF (pH 5.5): 10.93; (6)ACD/BCF (pH 7.4): 10.93; (7)ACD/KOC (pH 5.5): 192.75; (8)ACD/KOC (pH 7.4): 192.75; (9)H bond acceptors: 4; (10)H bond donors: 0; (11)Freely Rotating Bonds: 2; (12)Polar Surface Area: 54.45 Å²; (13)Index of Refraction: 1.581; (14)Molar Refractivity: 56.16 cm³; (15)Molar Volume: 168.3 cm³; (16)Polarizability: 22.26×10^-24cm³; (17)Surface Tension: 52.2 dyne/cm; (18)Density: 1.29 g/cm³; (19)Flash Point: 154.2 °C; (20)Melting Point: 85-86 °C; (21)Enthalpy of Vaporization: 58.94 kJ/mol; (22)Boiling Point: 345.3 °C at 760 mmHg; (23)Vapour Pressure: 6.21E-05 mmHg at 25 °C.

Production methods of 2-(1-Methyl-2-oxopropyl)-1H-isoindole-1,3-(2H)-dione: use Phthalimide reacting with Potassium hydroxide to get Phthalimide potassium salt, and then use the latter heating and condensation with 3 - Bromo D -2 ketone to get the product.

People can use the following data to convert to the molecule structure.
SMILES:CC(=O)C(C)N2C(=O)c1ccccc1C2=O
InChI:InChI=1/C12H11NO3/c1-7(8(2)14)13-11(15)9-5-3-4-6-10(9)12(13)16/h3-7H,1-2H3
InChIKey:NKPDEEQLUDNJPD-UHFFFAOYAO
Std. InChI:InChI=1S/C12H11NO3/c1-7(8(2)14)13-11(15)9-5-3-4-6-10(9)12(13)16/h3-7H,1-2H3
Std. InChIKey:NKPDEEQLUDNJPD-UHFFFAOYSA-N