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CS-W001157 4
Total: USD 88.00

1-Benzyl-3-pyrroline

  • CAS No. 6913-92-4

  • Cat. No. CS-W001618
  • Purity≥97%
  • MDL No.MFCD00012324

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

1-Benzyl-3-pyrroline|CS-W001618

Structure of 6913-92-4

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General Information

  • CAS No. 6913-92-4
  • Cat. No. CS-W001618
  • Purity ≥97%
  • MDL No. MFCD00012324
  • Storage -20°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₃N
  • Molecular Weight 159.23
  • Synonym(s) 1-Benzyl-2,5-dihydro-1H-pyrrole
  • SMILES C1(CN2CC=CC2)=CC=CC=C1

Description

1-Benzyl-3-pyrroline is a nitrogen-containing heterocycle featuring a benzyl-substituted pyrrolidine core. This compound exhibits enhanced stability and solubility in organic media, enabling efficient integration into synthetic routes requiring polar yet robust scaffolds. The benzylic group facilitates downstream functionalization through electrophilic or radical processes.

Application

1-Benzyl-3-pyrroline serves as a versatile building block in synthetic organic chemistry, enabling efficient access to nitrogen-containing heterocycles and alkaloid scaffolds. Its pyrrolidine core exhibits favorable reactivity in nucleophilic addition and electrophilic functionalization, while the benzyl group enhances stability and facilitates purification. The compound functions effectively in standard coupling and cyclization protocols, offering predictable regiochemistry and broad compatibility with common reaction conditions.

Synthesis

  • Route1
    • null|null
      1476-11-5
    • null|null
      100-46-9
    • ~83%
    • In-stock
      1-Benzyl-3-pyrroline|CS-W001618
      6913-92-4

    References

    • LABORATORIOS DEL DR. ESTEVE, S.A. Patent: EP1849772 A1, 2007 ; Location in patent: Page/Page column 18 ;
  • Route2
    • null|null
      4383-26-0
    • ~86%
    • In-stock
      1-Benzyl-3-pyrroline|CS-W001618
      6913-92-4

    References

    • Yang, Qian; Xiao, Wen-Jing; Yu, Zhengkun Organic Letters, 2005 , vol. 7, # 5 p. 871 - 874
  • Route3
    • null|null
      109-96-6
    • null|null
      100-44-7
    • ~19%
    • In-stock
      1-Benzyl-3-pyrroline|CS-W001618
      6913-92-4

    References

    • BOEHRINGER INGELHEIM INTERNATIONAL GMBH; BOEHRINGER INGELHEIM PHARMA GMBH and CO. KG Patent: WO2005/103031 A1, 2005 ; Location in patent: Page/Page column 67 ; WO 2005/103031 A1

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 3267
Class : 8
Packing Group : Ⅱ
Hazard Statements : H314
Precautionary Statements : P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P363-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   3.24
  • LogP   2.0584
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   2

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