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| CAS No.: | 4144-22-3 | ||||||||||
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| Name: | N-TERT-BUTYLMALEIMIDE | ||||||||||
| Article Data: | 9 | ||||||||||
| Molecular Structure: | |||||||||||
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| Formula: | C8H11NO2 | ||||||||||
| Molecular Weight: | 153.181 | ||||||||||
| Synonyms: | Maleimide,N-tert-butyl- (7CI,8CI);1-(1,1-Dimethylethyl)-1H-pyrrole-2,5-dione;N-tert-Butylmaleimide; | ||||||||||
| EINECS: | 624-184-2 | ||||||||||
| Density: | 1.059 | ||||||||||
| Melting Point: | 62-64 °C | ||||||||||
| Boiling Point: | 226.2 °C at 760 mmHg | ||||||||||
| Flash Point: | 80 °C | ||||||||||
| Hazard Symbols: |
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| Risk Codes: | R36/37/38 | ||||||||||
| Safety: |
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| PSA: | 37.38000 | ||||||||||
| LogP: | 0.64780 | ||||||||||
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Specification
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%.
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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%.
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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