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304-17-6

Basic Information
CAS No.: 304-17-6
Name: N-Isopropylphthalimide
Article Data: 34
Molecular Structure:
Molecular Structure of 304-17-6 (N-Isopropylphthalimide)
Formula: C11H11NO2
Molecular Weight: 189.214
Synonyms: Phthalimide,N-isopropyl- (6CI,7CI,8CI);NSC 406141;
EINECS: 206-150-5
Density: 1.223 g/cm3
Melting Point: 82-84 °C
Boiling Point: 287.2 °C at 760 mmHg
Flash Point: 121.1 °C
Appearance: slight yellow liquid
PSA: 37.38000
LogP: 1.62890
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    N-IsopropylphthalimideCAS No. : 304-17-6Molecular formula: C11H11NO2Structural formula: Molecular weight: 189.21Appearance: Light yellow liquidA…

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Specification

The IUPAC name of N-Isopropylphthalimide is 2-propan-2-ylisoindole-1,3-dione. With the CAS registry number 304-17-6, it is also named as Isopropyl phthalimide. The product's category is Derivatives of Phthalimide. Besides, it is slight yellow liquid. In addition, its molecular formula is C11H11NO2 and molecular weight is 189.22.

The other characteristics of N-Isopropylphthalimide can be summarized as: (1)EINECS: 206-150-5; (2)ACD/LogP: 2.44; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 2.43; (5)ACD/LogD (pH 7.4): 2.43; (6)ACD/BCF (pH 5.5): 41.72; (7)ACD/BCF (pH 7.4): 41.72; (8)ACD/KOC (pH 5.5): 502.84; (9)ACD/KOC (pH 7.4): 502.84; (10)#H bond acceptors: 3; (11)#H bond donors: 0; (12)#Freely Rotating Bonds: 1; (13)Index of Refraction: 1.58; (14)Molar Refractivity: 51.5 cm3; (15)Molar Volume: 154.6 cm3; (16)Surface Tension: 48 dyne/cm; (17)Density: 1.223 g/cm3; (18)Flash Point: 121.1 °C; (19)Melting Point: 82-84 °C; (20)Enthalpy of Vaporization: 52.63 kJ/mol; (21)Boiling Point: 287.2 °C at 760 mmHg; (22)Vapour Pressure: 0.00253 mmHg at 25 °C.

Preparation of this chemical: this chemical can be prepared by the reaction of N-Hydroxy-phthalimide with Isopropylamine.



This reaction needs Ethanol for 4 hours. The yield is 79 %.

Uses of this chemical: it can react with Prop-2-ynyl-magnesium bromide to get 3-Hydroxy-2-isopropyl-3-prop-2-ynyl-2,3-dihydro-isoindol-1-one.



This reaction needs Tetrahydrofuran and Diethyl ether at temperature of 0 °C for 5 min. The yield is 94 %.

People can use the following data to convert to the molecule structure.
(1)Canonical SMILES: CC(C)N1C(=O)C2=CC=CC=C2C1=O
(2)InChI: InChI=1S/C11H11NO2/c1-7(2)12-10(13)8-5-3-4-6-9(8)11(12)14/h3-7H,1-2H3
(3)InChIKey: VPLDXHDOGVIETL-UHFFFAOYSA-N 

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 3500mg/kg (3500mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Farmaco, Edizione Scientifica. Vol. 20, Pg. 3, 1965.
rat LDLo oral 500mg/kg (500mg/kg)   National Academy of Sciences, National Research Council, Chemical-Biological Coordination Center, Review. Vol. 5, Pg. 27, 1953.