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CS-W001157 4
Total: USD 88.00

1-(Phenylsulfonyl)pyrrolidine

  • CAS No. 5033-22-7

  • Cat. No. CS-0465691
  • Purity≥98%
  • MDL No.MFCD01055979

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

1-(Phenylsulfonyl)pyrrolidine|CS-0465691

Structure of 5033-22-7

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General Information

  • CAS No. 5033-22-7
  • Cat. No. CS-0465691
  • Purity ≥98%
  • MDL No. MFCD01055979
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₃NO₂S
  • Molecular Weight 211.28
  • Synonym(s) (Pyrrolidin-1-yl)(phenyl)sulphone
  • SMILES C1=CC=C(C=C1)S(=O)(=O)N2CCCC2

Synthesis

  • Route1
    • null|null
      182356-71-4
    • ~80%
    • 1-(Phenylsulfonyl)pyrrolidine|CS-0465691
      5033-22-7

    References

    • Garcia Ruano, Jose L.; Parra, Alejandro; Marzo, Leyre; Yuste, Francisco; Mastranzo, Virginia M. Tetrahedron, 2011 , vol. 67, # 16 p. 2905 - 2910
  • Route2
    • null|null
      123-75-1
    • null|null
      98-09-9
    • ~83%
    • 1-(Phenylsulfonyl)pyrrolidine|CS-0465691
      5033-22-7

    References

    • IRONWOOD PHARMACEUTICALS, INC.; JIA, James; MERMERIAN, Ara; KIM, Charles; LUNDRIGAN, Regina; MOORE, Joel Patent: WO2010/39982 A1, 2010 ; Location in patent: Page/Page column 93-94; 131-132 ; WO 2010/039982 A1
  • Route3

    References

    • Shi, Wei; Bai, Chun-Mei; Zhu, Kai; Cui, Dong-Mei; Zhang, Chen Tetrahedron, 2014 , vol. 70, # 2 p. 434 - 438

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-H317
Precautionary Statements : P261-P264-P270-P272-P280-P302+P352-P330-P362+P364-P501

Quality Control

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Computational Chemistry Data

  • TPSA   37.38
  • LogP   1.4711
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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