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| CAS No.: | 2142-01-0 |
|---|---|
| Name: | N-BENZYLPHTHALIMIDE |
| Molecular Structure: | |
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| Formula: | C15H11NO2 |
| Molecular Weight: | 237.258 |
| Synonyms: | Phthalimide,N-benzyl- (6CI,7CI,8CI);2-(Phenylmethyl)-1,3-isoindolinedione;2-(Phenylmethyl)isoindole-1,3(2H)-dione;2-Benzyl-1,3-dioxo-2,3-dihydro-1H-isoindole;2-Benzylisoindole-1,3-dione;2-Benzylisoindoline-1,3-dione;N-Benzylphthalimide;NSC 2771; |
| EINECS: | 218-395-5 |
| Density: | 1.312 g/cm3 |
| Melting Point: | 114-116 °C |
| Boiling Point: | 393.05 °C at 760 mmHg |
| Flash Point: | 179.779 °C |
| Appearance: | white crystalline powder |
| Hazard Symbols: |
 Xn
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| Risk Codes: | 20/21/22-36/37/38 |
| Safety: | 26-36 |
| PSA: | 37.38000 |
| LogP: | 2.42070 |
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Specification
The IUPAC name of N-Benzylphthalimide is 2-benzylisoindole-1,3-dione. With the CAS registry number 2142-01-0, it is also named as 1H-Isoindole-1,3(2H)-dione, 2-(phenylmethyl)-. The product's categories are N-Substituted Maleimides, Succinimides & Phthalimides; N-Substituted Phthalimides; Carbonyl Compounds; Cyclic Imides; Organic Building Blocks. Besides, it is white crystalline powder, which should be stored in sealed place. In addition, its molecular formula is C15H11NO2 and molecular weight is 237.25.
The other characteristics of this product can be summarized as: (1)EINECS: 218-395-5; (2)ACD/LogP: 3.33; (3)# of Rule of 5 Violations: 0; (4)ACD/LogD (pH 5.5): 3.33; (5)ACD/LogD (pH 7.4): 3.33; (6)ACD/BCF (pH 5.5): 200.74; (7)ACD/BCF (pH 7.4): 200.74; (8)ACD/KOC (pH 5.5): 1548.21; (9)ACD/KOC (pH 7.4): 1548.21; (10)#H bond acceptors: 3; (11)#H bond donors: 0; (12)#Freely Rotating Bonds: 2; (13)Index of Refraction: 1.66; (14)Molar Refractivity: 66.8 cm3; (15)Molar Volume: 180.8 cm3; (16)Surface Tension: 59.8 dyne/cm; (17)Density: 1.311 g/cm3; (18)Flash Point: 179.8 °C; (19)Melting Point: 114-116 °C; (20)Enthalpy of Vaporization: 64.29 kJ/mol; (21)Boiling Point: 393.1 °C at 760 mmHg; (22)Vapour Pressure: 2.19E-06 mmHg at 25 °C.
Preparation of N-Benzylphthalimide: this chemical can be prepared by Phthalic acid anhydride and Benzylamine.
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This reaction needs will occur by irradiation for 3 min. The yield is 89 %.
Uses of N-Benzylphthalimide: this chemical is used in organic synthesis. Moreover, it can react with Pyrrolidine to get N-Benzyl-2-(pyrrolidine-1-carbonyl)-benzamide.
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This reaction needs tetrahydrofuran at temperature of 25 °C. The yield is 96 %.
When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. It is also harmful by inhalation, in contact with skin and if swallowed. In case of contact with eyes, please rinse immediately with plenty of water and seek medical advice. And you should wear suitable protective clothing.
People can use the following data to convert to the molecule structure.
(1)SMILES: O=C2c1ccccc1C(=O)N2Cc3ccccc3
(2)InChI: InChI=1/C15H11NO2/c17-14-12-8-4-5-9-13(12)15(18)16(14)10-11-6-2-1-3-7-11/h1-9H,10H2
(3)InChIKey: WITXFYCLPDFRNM-UHFFFAOYAM