1-(1,1-Dimethylethyl) 2-methyl (2S,4R)-4-[[(4-methylphenyl)sulfonyl]oxy]-1,2-pyrrolidinedicarboxylate
Properties
- Molecular formula
- C18H25NO7S
- Molar mass
- 399.46 g/mol
- Exact mass
- 399.1352 Da
- Melting point
- 76–78 °C
- logP
- 2.25Crippen estimate
- Polar surface area
- 99.2 Ų
- H-bond donors / acceptors
- 0 / 7
- Rotatable bonds
- 4
Identifiers
CAS number
88043-21-4SMILES
COC(=O)[C@@H]1C[C@@H](OS(=O)(=O)c2ccc(C)cc2)CN1C(=O)OC(C)(C)CInChIKey
UKVKNGDXVREPDE-HIFRSBDPSA-NInChI
InChI=1S/C18H25NO7S/c1-12-6-8-14(9-7-12)27(22,23)26-13-10-15(16(20)24-5)19(11-13)17(21)25-18(2,3)4/h6-9,13,15H,10-11H2,1-5H3/t13-,15+/m1/s1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
3 names
- 1,2-Pyrrolidinedicarboxylic acid, 4-[[(4-methylphenyl)sulfonyl]oxy]-, 1-(1,1-dimethylethyl) 2-methyl ester, (2S,4R)-
- 1,2-Pyrrolidinedicarboxylic acid, 4-[[(4-methylphenyl)sulfonyl]oxy]-, 1-(1,1-dimethylethyl) 2-methyl ester, (2S-trans)-
- tert-Butyl methyl (2S,4R)-4-[[(4-methylphenyl)sulfonyl]oxy]pyrrolidine-1,2-dicarboxylate