CAS No.52898-32-5,N-(3-BUTEN-1-YL)PHTHALIMIDE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	52898-32-5
Name:	N-(3-BUTEN-1-YL)PHTHALIMIDE
Article Data:	61

Formula:	C₁₂H₁₁NO₂
Molecular Weight:	201.225
Synonyms:	2-But-3-enylisoindoline-1,3-dione;N-(3-Buten-1-yl)phthalimide;
EINECS:	251-434-4
Density:	1.195g/cm³
Melting Point:	52 °C
Boiling Point:	311 °C at 760 mmHg
Flash Point:	133.3 °C
Appearance:	off-white to white powder
PSA:	37.38000
LogP:	1.79660

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Specification

The 1H-Isoindole-1,3(2H)-dione,2-(3-buten-1-yl)-, with the CAS registry number 52898-32-5, is also known as 2-But-3-enylisoindoline-1,3-dione and N-(3-Buten-1-yl)phthalimide. It belongs to the product categories of N-Substituted Maleimides, Succinimides & Phthalimides; N-Substituted Phthalimides. This chemical's molecular formula is C₁₂H₁₁NO₂ and molecular weight is 201.2212. What's more, its systematic name is called 2-(But-3-en-1-yl)-1H-isoindole-1,3(2H)-dione. Its appearance is off-white to white powder.

Physical properties about this chemical are: (1)ACD/LogP: 2.83; (2)#of Rule of 5 Violations: 0; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 3; (6)Polar Surface Area: 37.38 Å²; (7)Index of Refraction: 1.579; (8)Molar Refractivity: 55.96 cm³; (9)Molar Volume: 168.2 cm³; (10)Surface Tension: 46.1 dyne/cm; (11)Density: 1.195 g/cm³; (12)Flash Point: 133.3 °C; (13)Enthalpy of Vaporization: 55.19 kJ/mol; (14)Boiling Point: 311 °C at 760 mmHg; (15)Vapour Pressure: 0.00058 mmHg at 25 °C; (16)Melting Point: 52 °C.

Preparation of 1H-Isoindole-1,3(2H)-dione,2-(3-buten-1-yl)-: this chemical can be prepared by 4-Chloro-but-1-ene and Phthalimide; potassium salt.

This reaction needs solvent Dimethylformamide at temperature of 80 °C. The reaction time is 3 hours. The yield is 85%.

Uses of 1H-Isoindole-1,3(2H)-dione,2-(3-buten-1-yl)-: it is used to produce other chemicals. For example, it is used to produce N-(2-Oxiranyl-ethyl)-phthalimide.

The reaction occurs with reagent mCPBA and solvent CHCl₃ at temperature of 20 °C. The reaction time is 18 hours. The yield is 94%.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C2c1ccccc1C(=O)N2CC\C=C
(2) InChI: InChI=1/C12H11NO2/c1-2-3-8-13-11(14)9-6-4-5-7-10(9)12(13)15/h2,4-7H,1,3,8H2
(3) InChIKey: ZDOLXCKKXHSEJG-UHFFFAOYAY