2-Methyl-2-propanyl 3-[(4-cyanophenyl)sulfonyl]-1-pyrrolidinecarboxylate
[CAS# 887587-78-2]

Identification

• Name: 2-Methyl-2-propanyl 3-[(4-cyanophenyl)sulfonyl]-1-pyrrolidinecarboxylate
• Synonyms: 1-Pyrrolidinecarboxylic acid, 3-[(4-cyanophenyl)sulfonyl]-, 1,1-dimethylethyl ester; 1-PYRROLIDINECARBOXYLICACID, 3-[(4-CYANOPHENYL)SULFONYL]-, 1,1-DIMETHYLETHYL ESTER; 2-Methyl-2-propanyl 3-[(4-cyanophenyl)sulfonyl]-1-pyrrolidinecarboxylate
• Molecular Formula: C₁₆H₂₀N₂O₄S
• Molecular Weight: 336.41
• CAS Registry Number: 887587-78-2
• SMILES: CC(C)(C)OC(=O)N1CCC(C1)S(=O)(=O)c2ccc(cc2)C#N
• InChI: 1S/C16H20N2O4S/c1-16(2,3)22-15(19)18-9-8-14(11-18)23(20,21)13-6-4-12(10-17)5-7-13/h4-7,14H,8-9,11H2,1-3H3
• InChIKey: QDQDIFAJLHFBPN-UHFFFAOYSA-N

Properties

• Density: 1.3±0.1g/cm³ (Cal.)
• Boiling point: 521.0±50.0°C at 760 mmHg (Cal.)
• Flash point: 268.9±30.1°C (Cal.)
• Refractive index: 1.575 (Cal.)