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CS-W001157 4
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Ethyl 1-benzylpyrrolidine-3-carboxylate

  • CAS No. 5747-92-2

  • Cat. No. CS-W001598
  • Purity≥97%
  • MDL No.MFCD04039852

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

Ethyl 1-benzylpyrrolidine-3-carboxylate|CS-W001598

Structure of 5747-92-2

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General Information

  • CAS No. 5747-92-2
  • Cat. No. CS-W001598
  • Purity ≥97%
  • MDL No. MFCD04039852
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₉NO₂
  • Molecular Weight 233.31
  • Synonym(s) Ethyl-1-benzylpyrrolidin-3-carboxylat
  • SMILES O=C(C1CN(CC2=CC=CC=C2)CC1)OCC

Description

Ethyl 1-benzylpyrrolidine-3-carboxylate features a pyrrolidine core bearing a benzyl group at the nitrogen and an ethyl ester at the C3 position. This configuration enables direct incorporation into diverse synthetic scaffolds, particularly in medicinal chemistry applications where the bicyclic framework supports bioactive molecule development. The compound exhibits favorable stability under standard bench conditions.

Application

Ethyl 1-benzylpyrrolidine-3-carboxylate serves as a versatile building block in medicinal chemistry, enabling efficient access to pyrrolidine-containing scaffolds. Its benzylic amine functionality offers site-specific derivatization potential, while the ester group facilitates selective transformations. The molecule exhibits excellent bench stability and ease of purification, supporting its use in multi-step syntheses and combinatorial libraries.

Synthesis

  • Route1
    • In-stock
      N-(Methoxymethyl)-N-(trimethylsilylmethyl)benzylamine|CS-0010304
      93102-05-7
    • null|null
      140-88-5
    • ~93%
    • In-stock
      Ethyl 1-benzylpyrrolidine-3-carboxylate|CS-W001598
      5747-92-2

    References

    • Srihari, Pabbaraja; Yaragorla, Srinivasa Rao; Basu, Debjit; Chandrasekhar, Srivari Synthesis, 2006 , # 16 p. 2646 - 2648
  • Route2
    • null|null
      64-17-5
    • In-stock
      1-Benzylpyrrolidine-3-carbonitrile|CS-W016891
      10603-52-8
    • ~56%
    • In-stock
      Ethyl 1-benzylpyrrolidine-3-carboxylate|CS-W001598
      5747-92-2

    References

    • SCHERING CORPORATION Patent: WO2003/103669 A1, 2003 ; Location in patent: Page 71-72 ; WO 03/103669 A1
  • Route3
    • null|null
      93102-06-8
    • null|null
      140-88-5
    • ~82%
    • In-stock
      Ethyl 1-benzylpyrrolidine-3-carboxylate|CS-W001598
      5747-92-2

    References

    • Hosomi, Akira; Sakata, Yasuyuki; Sakurai, Hideki Chemistry Letters, 1984 , p. 1117 - 1120

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301
Precautionary Statements : P264-P270-P330-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   29.54
  • LogP   2.0716
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   4

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