N-(1-PYRENYL)MALEIMIDE

The 1H-Pyrrole-2,5-dione,1-(1-pyrenyl)-, with the CAS registry number 42189-56-0, is also known as N-(1-Pyrenyl)maleimide. It belongs to the product categories of Fluorescent Labels and Indicators; Analytical Chemistry; Fluorescence Detection (HPLC Labeling Reagents); HPLC Labeling Reagents; Mercapto Group Labeling Reagents for Fluorescence HPLC; N-Substituted Maleimides; N-Substituted Maleimides, Succinimides & Phthalimides; Pyrenes; Fluorescent Labels & Indicators; Maleimide Derivatives; MTS & Sulfhydryl Active Reagents; Cyclic ImidesBiochemicals and Reagents; Carbonyl Compounds; Derivatization agents; Luminescent Compounds/Detection; Organic Building Blocks. Its EINECS registry number is 255-702-1. This chemical's molecular formula is C₂₀H₁₁NO₂ and molecular weight is 297.3068. What's more, its systematic name is called 1-(Pyren-1-yl)-1H-pyrrole-2,5-dione. Its classification codes are Coloring Agents; Enzyme Inhibitors; Fluorescent dyes; Indicators and Reagents; Luminescent Agents.

Physical properties about this chemical are: (1)ACD/LogP: 4.04; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.04; (4)ACD/LogD (pH 7.4): 4.04; (5)ACD/BCF (pH 5.5): 695.71; (6)ACD/BCF (pH 7.4): 695.71; (7)ACD/KOC (pH 5.5): 3768.86; (8)ACD/KOC (pH 7.4): 3768.86; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 37.38Ų; (13)Index of Refraction: 1.875; (14)Molar Refractivity: 92.53 cm³; (15)Molar Volume: 202.7 cm³; (16)Polarizability: 36.68×10^-24 cm³; (17)Surface Tension: 79.2 dyne/cm; (18)Density: 1.466 g/cm³; (19)Flash Point: 256.1 °C; (20)Enthalpy of Vaporization: 80.12 kJ/mol; (21)Boiling Point: 526.8 °C at 760 mmHg; (22)Vapour Pressure: 3.46E-11 mmHg at 25 °C; (23)Melting Point: 235-237 °C.

Preparation of 1H-Pyrrole-2,5-dione,1-(1-pyrenyl)-: this chemical can be prepared by N-(1-Pyrenyl)maleamic acid.

This reaction needs reagent ZnBr₂, HMDS and solvent Benzene. The reaction time is 1.5 hours. The yield is 98%.

When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing. In case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C5\C=C/C(=O)N5c1ccc4c2c3c(ccc12)cccc3cc4
(2) InChI: InChI=1/C20H11NO2/c22-17-10-11-18(23)21(17)16-9-7-14-5-4-12-2-1-3-13-6-8-15(16)20(14)19(12)13/h1-11H
(3) InChIKey: YXKWRQLPBHVBRP-UHFFFAOYAD