1-(tert-butyl)pyrrolidin-2-one supplier

Name
1-(tert-butyl)pyrrolidin-2-one
EINECS 243-972-3
CAS No. 20687-53-0
Article Data2
CAS DataBase
Density 0.99 g/cm³
Solubility
Melting Point
Formula C₈H₁₅NO
Boiling Point 226.8 °C at 760 mmHg
Molecular Weight 141.213
Flash Point 96.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-Pyrrolidinone,1-tert-butyl- (8CI);1-tert-Butyl-2-pyrrolidinone;N-tert-Butyl-2-pyrrolidinone;N-tert-Butyl-2-pyrrolidone;
PSA 20.31000
LogP 1.34520

1-(tert-butyl)pyrrolidin-2-one Specification

The 2-Pyrrolidinone,1-(1,1-dimethylethyl)- is an organic compound with the formula C₈H₁₅NO. The IUPAC name of this chemical is 1-Tert-butylpyrrolidin-2-one. With the CAS registry number 20687-53-0, it is also named as 1-(1,1-Dimethylethyl)-2-pyrrolidinone. Besides, its molecular weight is 141.2108.

The physical properties of 2-Pyrrolidinone,1-(1,1-dimethylethyl)- are: (1)ACD/LogP: 0.83; (2)ACD/LogD (pH 5.5): 0.83; (3)ACD/LogD (pH 7.4): 0.83; (4)ACD/BCF (pH 5.5): 2.52; (5)ACD/BCF (pH 7.4): 2.52; (6)ACD/KOC (pH 5.5): 67.39; (7)ACD/KOC (pH 7.4): 67.39; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 20.31 Å²; (11)Index of Refraction: 1.477; (12)Molar Refractivity: 40.33 cm³; (13)Molar Volume: 142.5 cm³; (14)Polarizability: 15.99×10^-24 cm³; (15)Surface Tension: 35.7 dyne/cm; (16)Density: 0.99 g/cm³; (17)Flash Point: 96.5 °C; (18)Enthalpy of Vaporization: 46.33 kJ/mol; (19)Boiling Point: 226.8 °C at 760 mmHg; (20)Vapour Pressure: 0.0804 mmHg at 25 °C.

Uses of 2-Pyrrolidinone,1-(1,1-dimethylethyl)-: it can be used to produce 1-Tert-butyl-2-{[(4-methylphenyl)sulfonyl]imino}pyrrolidine at temperature of 20 °C. It will need solvent tetrahydrofuran with reaction time of 18 hours. The yield is about 91%.

2-Pyrrolidinone,1-(1,1-dimethylethyl)- and Toluene-4-sulfonyl isocyanate can be used to produce 1-Tert-butyl-2-{[(4-methylphenyl)sulfonyl]imino}pyrrolidine

You can still convert the following datas into molecular structure:
(1)SMILES: O=C1N(C(C)(C)C)CCC1
(2)InChI: InChI=1/C8H15NO/c1-8(2,3)9-6-4-5-7(9)10/h4-6H2,1-3H3
(3)InChIKey: LUVQSCCABURXJL-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C8H15NO/c1-8(2,3)9-6-4-5-7(9)10/h4-6H2,1-3H3
(5)Std. InChIKey: LUVQSCCABURXJL-UHFFFAOYSA-N

Product Name

1-(tert-butyl)pyrrolidin-2-one

1-(tert-butyl)pyrrolidin-2-one Specification

Related Products

Hot Products