N-METHOXYCARBONYLMALEIMIDE

The 1H-Pyrrole-1-carboxylicacid, 2,5-dihydro-2,5-dioxo-, methyl ester, with the CAS registry number 55750-48-6, is also known as N-Methoxycarbonylmaleimide. Its EINECS number is 259-792-3. It belongs to the product categories of Nitric Oxide Reagents; Cross Linking Reagents; Maleimide Derivatives; MTS & Sulfhydryl Active Reagents; Carbonyl Compounds; Cyclic Imides; Organic Building Blocks. This chemical's molecular formula is C₆H₅NO₄ and molecular weight is 155.11. What's more, its systematic name is Methyl 2,5-dioxo-2,5-dihydro-1H-pyrrole-1-carboxylate. The product should be sealed and stored in containers which are placed in cool, ventilated and dry places at the temperature of 2-8 °C. When using it, you should not breathe dust and avoid it contacting with your skin and eyes.

Physical properties of 1H-Pyrrole-1-carboxylicacid, 2,5-dihydro-2,5-dioxo-, methyl ester are: (1)ACD/LogP: -0.87; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.87; (4)ACD/LogD (pH 7.4): -0.87; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 8.05; (8)ACD/KOC (pH 7.4): 8.05; (9)#H bond acceptors: 5; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 63.68 Å²; (13)Index of Refraction: 1.545; (14)Molar Refractivity: 32.82 cm³; (15)Molar Volume: 103.6 cm³; (16)Polarizability: 13.01×10^-24 cm³; (17)Surface Tension: 61.6 dyne/cm; (18)Density: 1.496 g/cm³; (19)Flash Point: 100.4 °C; (20)Enthalpy of Vaporization: 47.95 kJ/mol; (21)Boiling Point: 242.5 °C at 760 mmHg; (22)Vapour Pressure: 0.0339 mmHg at 25°C.

Uses of 1H-Pyrrole-1-carboxylicacid, 2,5-dihydro-2,5-dioxo-, methyl ester: it can be used to produce 1,1'-hexanediyl-bis-pyrrole-2,5-dione at the ambient temperature. It will need reagent NaHCO₃ and solvent tetrahydrofuran with the reaction time of 3 hours. The yield is about 60%.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1\C=C/C(=O)N1C(=O)OC
(2)InChI: InChI=1S/C6H5NO4/c1-11-6(10)7-4(8)2-3-5(7)9/h2-3H,1H3
(3)InChIKey: LLAZQXZGAVBLRX-UHFFFAOYSA-N