N-(2-Oxoethyl)phthalimide

The N-(2-Oxoethyl)phthalimide is an organic compound with the formula C₁₀H₇NO₃. The IUPAC name of this chemical is 2-(1,3-dioxoisoindol-2-yl)acetaldehyde. With the CAS registry number 2913-97-5, it is also named as (1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)acetaldehyd. The product's categories are Aromatics Compounds; Aromatics; Cross Linking Reagents; Heterocycles; Miscellaneous Reagents. Besides, it is an off-white solid.

Physical properties about N-(2-Oxoethyl)phthalimide are: (1)ACD/LogP: 1.32; (2)ACD/LogD (pH 5.5): 1.32; (3)ACD/LogD (pH 7.4): 1.32; (4)ACD/BCF (pH 5.5): 5.96; (5)ACD/BCF (pH 7.4): 5.96; (6)ACD/KOC (pH 5.5): 124.88; (7)ACD/KOC (pH 7.4): 124.88; (8)#H bond acceptors: 4; (9)#Freely Rotating Bonds: 2; (10)Polar Surface Area: 54.45 Å²; (11)Index of Refraction: 1.601; (12)Molar Refractivity: 47.15 cm³; (13)Molar Volume: 137.4 cm³; (14)Polarizability: 18.69×10^-24cm³; (15)Surface Tension: 57.2 dyne/cm; (16)Density: 1.376 g/cm³; (17)Flash Point: 151.5 °C; (18)Enthalpy of Vaporization: 56.63 kJ/mol; (19)Boiling Point: 324.3 °C at 760 mmHg; (20)Vapour Pressure: 0.000247 mmHg at 25°C.

Preparation: this chemical can be prepared by N-(2,2-diethoxy-ethyl)-phthalimide. This reaction will need reagent 6N HCl and solvent tetrahydrofuran. The reaction time is 14 hours with reaction temperature of 20 °C. The yield is about 100%.

Uses of N-(2-Oxoethyl)phthalimide: it can be used to produce 1-Phthalimidoheptan-2,5-dion at temperature of 80 °C. It will need reagent Et3N, 3-Benzyl-5-(2-hydroxyethyl)-4-methylthiazolium-chlorid and solvent ethanol with reaction time of 16 hours. The yield is about 76%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C2c1ccccc1C(=O)N2CC=O
(2)InChI: InChI=1/C10H7NO3/c12-6-5-11-9(13)7-3-1-2-4-8(7)10(11)14/h1-4,6H,5H2
(3)InChIKey: LMRDBJZQDUVCQH-UHFFFAOYAU
(4)Std. InChI: InChI=1S/C10H7NO3/c12-6-5-11-9(13)7-3-1-2-4-8(7)10(11)14/h1-4,6H,5H2
(5)Std. InChIKey: LMRDBJZQDUVCQH-UHFFFAOYSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intraperitoneal	1725mg/kg (1725mg/kg)	BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD BEHAVIORAL: EXCITEMENT	Journal of Pharmaceutical Sciences. Vol. 57, Pg. 815, 1968.