Cas no 212890-86-3 (tert-butyl (2S)-2-(hydroxymethyl)-4,4-dimethylpyrrolidine-1-carboxylate)

Tert-butyl (2S)-2-(hydroxymethyl)-4,4-dimethylpyrrolidine-1-carboxylate is a chiral pyrrolidine derivative featuring a tert-butyloxycarbonyl (Boc) protecting group and a hydroxymethyl substituent. Its stereospecific (2S) configuration makes it valuable in asymmetric synthesis and pharmaceutical intermediates. The Boc group enhances stability, facilitating handling and purification, while the hydroxymethyl functionality allows for further derivatization. The 4,4-dimethyl substitution imparts steric hindrance, influencing reactivity and selectivity in synthetic applications. This compound is particularly useful in peptidomimetics and bioactive molecule synthesis, where controlled stereochemistry and functional group compatibility are critical. Its well-defined structure ensures reproducibility in complex organic transformations.
tert-butyl (2S)-2-(hydroxymethyl)-4,4-dimethylpyrrolidine-1-carboxylate structure
212890-86-3 structure
Product Name:tert-butyl (2S)-2-(hydroxymethyl)-4,4-dimethylpyrrolidine-1-carboxylate
CAS No:212890-86-3
MF:C12H23NO3
MW:229.315923929214
MDL:MFCD18711410
CID:2119747
PubChem ID:66837197
Update Time:2025-10-29

tert-butyl (2S)-2-(hydroxymethyl)-4,4-dimethylpyrrolidine-1-carboxylate Chemical and Physical Properties

Names and Identifiers

    • (S)-tert-butyl 2-(hydroxymethyl)-4,4-dimethylpyrrolidine-1-carboxylate
    • (S)-N-BOC-2-HYDROXYMETHYL-4,4-DIMETHYLPYRROLIDINE
    • tert-butyl (2S)-2-(hydroxymethyl)-4,4-dimethylpyrrolidine-1-carboxylate
    • (2S)-1-Boc-2-(Hydroxymethyl)-4,4-dimethylpyrrolidine
    • 212890-86-3
    • MFCD18711410
    • SCHEMBL903377
    • DTXSID60735866
    • (S)-tert-Butyl2-(hydroxymethyl)-4,4-dimethylpyrrolidine-1-carboxylate
    • AKOS027252617
    • AS-35652
    • CS-0048613
    • 1-Pyrrolidinecarboxylic acid, 2-(hydroxyMethyl)-4,4-diMethyl-, 1,1-diMethylethyl ester, (2S)-
    • EN300-7309147
    • MDL： MFCD18711410
    • Inchi： 1S/C12H23NO3/c1-11(2,3)16-10(15)13-8-12(4,5)6-9(13)7-14/h9,14H,6-8H2,1-5H3/t9-/m0/s1
    • InChI Key： IMAIYZZQVVKONO-VIFPVBQESA-N
    • SMILES： O(C(C)(C)C)C(N1CC(C)(C)C[C@H]1CO)=O

Computed Properties

  • Exact Mass: 229.16779360g/mol
  • Monoisotopic Mass: 229.16779360g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 16
  • Rotatable Bond Count: 4
  • Complexity: 268
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.8
  • Topological Polar Surface Area: 49.8?2

Experimental Properties

  • Color/Form: Pale-yellow to Yellow-brown Sticky Oil to Semi-Solid

tert-butyl (2S)-2-(hydroxymethyl)-4,4-dimethylpyrrolidine-1-carboxylate Security Information

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Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Chemenu
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Alichem
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Chemenu
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Chemenu
CM319300-1g
(S)-tert-Butyl 2-(hydroxymethyl)-4,4-dimethylpyrrolidine-1-carboxylate
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