1H-Pyrrole-2,5-dione,1-(1,1-dimethylethyl)- (4144-22-3)

The N-tert-Butylmaleimide with cas registry number of 4144-22-3, belongs to the following product categories: (1)API intermediates; (2)Carbonyl Compounds; (3)Cyclic Imides; (4)Organic Building Blocks. It has the systematic name of 1-tert-butyl-1H-pyrrole-2,5-dione. Its refractive index is 1.477.

Physical properties about this chemical are: (1)ACD/LogP: 1.38; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.38; (4)ACD/LogD (pH 7.4): 1.38; (5)ACD/BCF (pH 5.5): 6.6; (6)ACD/BCF (pH 7.4): 6.6; (7)ACD/KOC (pH 5.5): 134.42; (8)ACD/KOC (pH 7.4): 134.42; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 37.38 Å²; (13)Index of Refraction: 1.517; (14)Molar Refractivity: 40.07 cm³; (15)Molar Volume: 132.3 cm³; (16)Polarizability: 15.88×10^-24cm³; (17)Surface Tension: 44.3 dyne/cm; (18)Enthalpy of Vaporization: 46.27 kJ/mol; (19)Vapour Pressure: 0.0831 mmHg at 25°C.

 Preparation: this chemical can be prepared by N-t-butylmaleamic acid. This reaction will need reagent Et3N, Ac2O and solvent butan-2-one. The reaction time is 6 hour(s). The yield is about 71.3%.

Uses of p-Chloropropiophenone: it can be used to produce 1-tert-butyl-3-(5-methyl-tetrahydro-furan-2-yl)-pyrrolidine-2,5-dione. This reaction will need reagent DBU and solvent acetonitrile. The reaction time is 2 hour(s). The yield is about 70%.

When you are using this chemical, please be cautious about it as the following:
The N-tert-Butylmaleimide irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1\C=C/C(=O)N1C(C)(C)C;
(2)InChI: InChI=1/C8H11NO2/c1-8(2,3)9-6(10)4-5-7(9)11/h4-5H,1-3H3;
(3)InChIKey: YEKDUBMGZZTUDY-UHFFFAOYAH;
(4)Std. InChI: InChI=1S/C8H11NO2/c1-8(2,3)9-6(10)4-5-7(9)11/h4-5H,1-3H3;
(5)Std. InChIKey: YEKDUBMGZZTUDY-UHFFFAOYSA-N