Cas no 659747-06-5 (tert-butyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate)

Tert-butyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate is a chiral pyrrolidine derivative widely used as a key intermediate in organic synthesis and pharmaceutical applications. Its stereochemically defined (2S,4S) configuration ensures high enantioselectivity, making it valuable for asymmetric synthesis and the preparation of bioactive compounds. The tert-butyl ester group enhances stability and facilitates selective deprotection under mild conditions, while the hydroxyl group at the 4-position offers a versatile handle for further functionalization. This compound is particularly useful in the synthesis of peptidomimetics, protease inhibitors, and other pharmacologically relevant molecules. Its well-defined structure and reactivity profile make it a reliable building block for complex molecular architectures.
tert-butyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate structure
659747-06-5 structure
Product Name:tert-butyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate
CAS No:659747-06-5
MF:C9H17NO3
MW:187.236182928085
MDL:MFCD20400776
CID:1705935
PubChem ID:64713195
Update Time:2025-06-08

tert-butyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate Chemical and Physical Properties

Names and Identifiers

    • L-Proline, 4-hydroxy-, 1,1-dimethylethyl ester, (4S)-
    • tert-butyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate
    • (2S, 4S)-4-Hydroxy-pyrrolidine-2-carboxylic acid tert-butyl ester
    • F74599
    • 659747-06-5
    • AKOS014040608
    • MFCD20400776
    • tert-butyl(2S,4S)-4-hydroxypyrrolidine-2-carboxylate
    • EN300-313790
    • CS-0245942
    • MDL： MFCD20400776
    • Inchi： 1S/C9H17NO3/c1-9(2,3)13-8(12)7-4-6(11)5-10-7/h6-7,10-11H,4-5H2,1-3H3/t6-,7-/m0/s1
    • InChI Key： VSLZXCDAPVPGOX-BQBZGAKWSA-N
    • SMILES： C(OC(C)(C)C)(=O)[C@@H]1C[C@H](O)CN1

Computed Properties

  • Exact Mass: 187.12084340g/mol
  • Monoisotopic Mass: 187.12084340g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 3
  • Complexity: 198
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.2
  • Topological Polar Surface Area: 58.6?2

tert-butyl (2S,4S)-4-hydroxypyrrolidine-2-carboxylate Pricemore >>

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