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CS-W001157 4
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(S)-Methyl pyrrolidine-3-carboxylate hydrochloride

  • CAS No. 1099646-61-3

  • Cat. No. CS-W005089
  • Purity≥95%
  • MDL No.None

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

(S)-Methyl pyrrolidine-3-carboxylate hydrochloride|CS-W005089

Structure of 1099646-61-3

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General Information

  • CAS No. 1099646-61-3
  • Cat. No. CS-W005089
  • Purity ≥95%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₁₂ClNO₂
  • Molecular Weight 165.62
  • Synonym(s) S-3-Pyrrolidinecarboxylic acid methyl ester hydrochloride
  • SMILES COC([C@@]1([H])CCNC1)=O.Cl

Description

(S)-Methyl pyrrolidine-3-carboxylate hydrochloride is a bench-stable, moisture-tolerant chiral building block featuring a defined stereogenic center. This crystalline salt integrates readily into peptide-like scaffolds and enables asymmetric synthesis of bioactive molecules through controlled C–H functionalization.

Application

(S)-Methyl pyrrolidine-3-carboxylate hydrochloride serves as a chiral building block for synthesizing bioactive molecules, particularly in medicinal chemistry and peptide mimetics. Its stable pyrrolidine core facilitates efficient functionalization and compatibility with standard coupling protocols. The hydrochloride salt enhances solubility and handling, enabling straightforward purification and use in multi-step syntheses.

Synthesis

  • Route1
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      67-56-1
    • In-stock
      (S)-1-N-Boc-beta-proline|CS-B0423
      140148-70-5
    • ~97%
    • In-stock
      (S)-Methyl pyrrolidine-3-carboxylate hydrochloride|CS-W005089
      1099646-61-3

    References

    • SMITHKLINE BEECHAM CORPORATION Patent: WO2009/5998 A1, 2009 ; Location in patent: Page/Page column 252-253 ;
  • Route2

    References

    • INTERMUNE, INC.; BUCKMAN, Brad, O.; NICHOLAS, John, B.; EMAYAN, Kumaraswamy; SEIWERT, Scott, D. Patent: WO2013/25733 A1, 2013 ; Location in patent: Paragraph 0770 ;
  • Route3

    References

    • INTERMUNE, INC.; BUCKMAN, Brad, O.; NICHOLAS, John, B.; EMAYAN, Kumaraswamy; SEIWERT, Scott, D. Patent: WO2013/25733 A1, 2013 ;

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

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Computational Chemistry Data

  • TPSA   38.33
  • LogP   0.1907
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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