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| CAS No.: | 2913-97-5 |
|---|---|
| Name: | N-(2-Oxoethyl)phthalimide |
| Molecular Structure: | |
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| Formula: | C10H7NO3 |
| Molecular Weight: | 189.17 |
| Synonyms: | Phthalimide,N-(formylmethyl)- (6CI,7CI,8CI);(1,3-Dioxo-1,3-dihydroisoindol-2-yl)acetaldehyde;1,3-Dioxo-2-isoindolineacetaldehyde;2-(1,3-Dioxo-1,3-dihydro-2H-isoindol-2-yl)acetaldehyde;2-(1,3-Dioxo-1,3-dihydroisoindol-2-yl)acetaldehyde;2-(1,3-Dioxoisoindolin-2-yl)acetaldehyde;2-Phthalimidoacetaldehyde;N-(Formylmethyl)phthalimide;NSC 30242;Phthalimidoacetaldehyde;Phthalylglycine aldehyde; |
| Density: | 1.376 g/cm3 |
| Melting Point: | 116-118 °C |
| Boiling Point: | 324.319 °C at 760 mmHg |
| Flash Point: | 151.476 °C |
| Appearance: | Off-white solid |
| PSA: | 54.45000 |
| LogP: | 0.41940 |
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Specification
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%.
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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%.
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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. |