Compound Q&A
How is L-alpha-Aspartyl-N-(2,2,4,4-tetramethyl-3-thietanyl)-D-alaninamide hydrate (CAS: 99016-42-9) typically synthesized?
Answer
L-alpha-Aspartyl-N-(2,2,4,4-tetramethyl-3-thietanyl)-D-alaninamide hydrate (CAS: 99016-42-9) is synthesized through a multi-step process involving the condensation of L-aspartic acid, 2,2,4,4-tetramethyl-3-thienylalanine, and D-alanine. The reaction typically proceeds under mild conditions using a catalytic amount of a suitable base like triethylamine. The product is purified by recrystallization from water, yielding a hydrate with a 2:5 ratio of the compound to water.
About
CAS No
99016-42-9
English Name
L-alpha-Aspartyl-N-(2,2,4,4-tetramethyl-3-thietanyl)-D-alaninamide hydrate (2:5)
Molecular Formula
C28H60N6O13S2
Molecular Weight
752.95 g/mol
SMILES
C[C@H](C(=O)NC1C(SC1(C)C)(C)C)NC(=O)[C@H](CC(=O)O)N.C[C@H](C(=O)NC1C(SC1(C)C)(C)C)NC(=O)[C@H](CC(=O)O)N.O.O.O.O.O
InChIKey
NUFKRGBSZPCGQB-FLBSXDLDSA-N
Last Updated: 2025-11-01 22:12