alpha-Phthalimidopropiophenone

This chemical is called alpha-Phthalimidopropiophenone, and its systematic name is 2-(1-oxo-1-phenylpropan-2-yl)-1H-isoindole-1,3(2H)-dione. With the molecular formula of C₁₇H₁₃NO₃, its molecular weight is 279.29. The CAS registry number of this chemical is 19437-20-8.

Other characteristics of the alpha-Phthalimidopropiophenone can be summarised as followings: (1)ACD/LogP: 3.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.38; (4)ACD/LogD (pH 7.4): 3.38; (5)ACD/BCF (pH 5.5): 218.7; (6)ACD/BCF (pH 7.4): 218.7; (7)ACD/KOC (pH 5.5): 1646.16; (8)ACD/KOC (pH 7.4): 1646.16; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 54.45 Å²; (13)Index of Refraction: 1.633; (14)Molar Refractivity: 76.47 cm³; (15)Molar Volume: 214.1 cm³; (16)Polarizability: 30.31×10^-24cm³; (17)Surface Tension: 56.2 dyne/cm; (18)Density: 1.304 g/cm³; (19)Flash Point: 204.4 °C; (20)Enthalpy of Vaporization: 70.55 kJ/mol; (21)Boiling Point: 447.2 °C at 760 mmHg; (22)Vapour Pressure: 3.43E-08 mmHg at 25°C.

Production method of this chemical: The alpha-Phthalimidopropiophenone could be obtained the reactants of 2-bromo-1-phenyl-propan-1-one and phthalimide; potassium salt, the solvent of ethanol. The yield is 60 %. In addition, this reaction should be taken for 5 hours with the heating. 

Uses of this chemical: The alpha-Phthalimidopropiophenone could react with trimethyl-silanecarbonitrile, and obtain the 3-(1,3-dioxo-1,3-dihydro-isoindol-2-yl)-2-phenyl-2-trimethylsilanyloxy-butyronitrile. This reaction needs the reagents of KCN, 18-crown-6, and the solvent of CH₂Cl₂. The yield is 88 %. In additon, this reaction should be taken for 1.5 hours.

When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin, so you should wear suitable protective clothing when you use it. In case of contacting 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(c1ccccc1)C(N3C(=O)c2ccccc2C3=O)C
2.InChI: InChI=1/C17H13NO3/c1-11(15(19)12-7-3-2-4-8-12)18-16(20)13-9-5-6-10-14(13)17(18)21/h2-11H,1H3
3.InChIKey: CKLKGWHINGNHOK-UHFFFAOYAO