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CAS 895245-31-5

:

rel-1,1-Dimethylethyl (3R,4R)-3,4-bis(hydroxymethyl)-1-pyrrolidinecarboxylate

Description:
Rel-1,1-Dimethylethyl (3R,4R)-3,4-bis(hydroxymethyl)-1-pyrrolidinecarboxylate is a chemical compound characterized by its pyrrolidine ring structure, which features two hydroxymethyl groups at the 3 and 4 positions, contributing to its potential as a chiral building block in organic synthesis. The presence of the tert-butyl group (1,1-dimethylethyl) enhances its steric bulk, which can influence its reactivity and solubility in various solvents. This compound is likely to exhibit properties typical of carboxylate esters, such as being a potential precursor in the synthesis of pharmaceuticals or agrochemicals. Its chirality, indicated by the (3R,4R) configuration, suggests that it may have specific biological activities or interactions, making it of interest in medicinal chemistry. Additionally, the hydroxymethyl groups may participate in hydrogen bonding, affecting its physical properties like melting point and solubility. Overall, this compound's unique structural features position it as a valuable entity in chemical research and applications.
Formula:C11H21NO4
InChI:InChI=1/C11H21NO4/c1-11(2,3)16-10(15)12-4-8(6-13)9(5-12)7-14/h8-9,13-14H,4-7H2,1-3H3/t8-,9-/s2
InChI key:InChIKey=HEFYZXCUGNIOCW-MDWBIBFBNA-N
SMILES:C(OC(C)(C)C)(=O)N1C[C@@H](CO)[C@H](CO)C1
Synonyms:
  • 1-Pyrrolidinecarboxylic acid, 3,4-bis(hydroxymethyl)-, 1,1-dimethylethyl ester, (3R,4R)-rel-
  • rel-(3S,4S)-3,4-Bis(hydroxymethyl)pyrrolidine-1-carboxylic acid tert-butyl ester
  • trans-3,4-Bis(hydroxymethyl)pyrrolidine-1-carboxylic acid tert-butyl ester
  • rel-1,1-Dimethylethyl (3R,4R)-3,4-bis(hydroxymethyl)-1-pyrrolidinecarboxylate
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