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CS-W001157 4
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tert-Butyl 3-hydroxy-3-methylpyrrolidine-1-carboxylate

  • CAS No. 412278-02-5

  • Cat. No. CS-0048285
  • Purity≥95%
  • MDL No.None

*For research and further manufacturing use only, not for direct human use.

tert-Butyl 3-hydroxy-3-methylpyrrolidine-1-carboxylate|CS-0048285

Structure of 412278-02-5

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General Information

  • CAS No. 412278-02-5
  • Cat. No. CS-0048285
  • Purity ≥95%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₉NO₃
  • Molecular Weight 201.26
  • Synonym(s) 3-Hydroxy-3-methyl-pyrrolidine-1-carboxylic acid tert-butyl ester
  • SMILES CC(C)(C)OC(=O)N1CCC(C)(O)C1

Description

tert-Butyl 3-hydroxy-3-methylpyrrolidine-1-carboxylate features a stereogenic center with a hydroxyl group flanked by a methyl substituent, enabling selective functionalization in complex molecule synthesis. The tert-butyl carbamate moiety offers robust protection under standard conditions, facilitating modular assembly of nitrogen-containing scaffolds with enhanced stability and ease of deprotection.

Application

tert-Butyl 3-hydroxy-3-methylpyrrolidine-1-carboxylate serves as a versatile chiral building block for the synthesis of pyrrolidine-containing scaffolds. The tertiary alcohol functionality enables selective derivatization, while the protected amine facilitates downstream transformations. Its bench-stable nature and compatibility with standard coupling and reduction protocols make it well-suited for medicinal chemistry campaigns requiring efficient access to saturated nitrogen heterocycles.

Synthesis

  • Route1
    • null|null
      75-16-1
    • null|null
      101385-93-7
    • ~93%
    • In-stock
      tert-Butyl 3-hydroxy-3-methylpyrrolidine-1-carboxylate|CS-0048285
      412278-02-5

    References

    • Biota Europe Ltd.; Lunniss, Christopher James; Palmer, James T.; Pitt, Gary Robert William; Davies, David; Axford, Lorraine Claire Patent: US2013/252938 A1, 2013 ; Location in patent: Paragraph 0514 ;
  • Route2
    • null|null
      101385-93-7
    • null|null
      74-88-4
    • ~47%
    • In-stock
      tert-Butyl 3-hydroxy-3-methylpyrrolidine-1-carboxylate|CS-0048285
      412278-02-5

    References

    • ASTRAZENECA AB Patent: WO2007/11284 A1, 2007 ; Location in patent: Page/Page column 29 ; WO 2007/011284 A1
  • Route3
    • null|null
      917-64-6
    • null|null
      101385-93-7
    • ~%
    • In-stock
      tert-Butyl 3-hydroxy-3-methylpyrrolidine-1-carboxylate|CS-0048285
      412278-02-5

    References

    • XUANZHU PHARMA CO., LTD.; Zhang, Hui; Fan, Mingwei; Sun, Liang Patent: US2014/45896 A1, 2014 ; Location in patent: Paragraph 0081; 0082 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   49.77
  • LogP   1.3782
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   0

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