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CS-W001157 4
Total: USD 88.00

1-Phenylpyrrolidine

  • CAS No. 4096-21-3

  • Cat. No. CS-0156106
  • Purity≥96%
  • MDL No.MFCD00015897

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

1-Phenylpyrrolidine|CS-0156106

Structure of 4096-21-3

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General Information

  • CAS No. 4096-21-3
  • Cat. No. CS-0156106
  • Purity ≥96%
  • MDL No. MFCD00015897
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₃N
  • Molecular Weight 147.22
  • Synonym(s) 1-phenyl-pyrrolidine
  • SMILES C1=CC=C(C=C1)N2CCCC2

Description

1-Phenylpyrrolidine is a nitrogen-containing heterocycle featuring a phenyl group directly attached to the pyrrolidine ring, enhancing π-stacking potential and modulating basicity. This structure integrates well into bioactive scaffolds, offering improved lipophilicity and metabolic stability in medicinal chemistry applications.

Application

1-Phenylpyrrolidine serves as a versatile building block in medicinal chemistry, enabling the construction of bioactive heterocycles through standard functionalization at the pyrrolidine nitrogen and phenyl ring. Its bench-stable nature and compatibility with common coupling reactions facilitate efficient synthesis of pharmaceutical intermediates. The molecule functions effectively as a chiral scaffold or amine component in transition-metal-catalyzed transformations and offers predictable reactivity in amide bond formation, alkylation, and electrophilic substitution processes.

Synthesis

  • Route1
    • null|null
      123-75-1
    • In-stock
      Iodobenzene|CS-W008603
      591-50-4
    • ~98%
    • In-stock
      1-Phenylpyrrolidine|CS-0156106
      4096-21-3

    References

    • Cano, Rafael; Ramon, Diego J.; Yus, Miguel Journal of Organic Chemistry, 2011 , vol. 76, # 2 p. 654 - 660
  • Route2
    • null|null
      110-63-4
    • null|null
      74497-02-2
    • ~92%
    • In-stock
      1-Phenylpyrrolidine|CS-0156106
      4096-21-3

    References

    • Abbenhuis; Boersma; Van Koten Journal of Organic Chemistry, 1998 , vol. 63, # 13 p. 4282 - 4290
  • Route3
    • null|null
      1125-99-1
    • ~86%
    • In-stock
      1-Phenylpyrrolidine|CS-0156106
      4096-21-3

    References

    • Ishikawa; Uedo; Tani; Saito Journal of Organic Chemistry, 2001 , vol. 66, # 1 p. 186 - 191

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2810
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H311
Precautionary Statements : P264-P270-P280-P302+P352-P330-P361+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   3.24
  • LogP   2.2868
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   1

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