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CS-W001157 4
Total: USD 88.00

(4-Cyanobenzyl)triphenylphosphonium chloride

  • CAS No. 20430-33-5

  • Cat. No. CS-0464708
  • Purity≥98%
  • MDL No.None

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

(4-Cyanobenzyl)triphenylphosphonium chloride|CS-0464708

Structure of 20430-33-5

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General Information

  • CAS No. 20430-33-5
  • Cat. No. CS-0464708
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₂₆H₂₁ClNP
  • Molecular Weight 413.88
  • Synonym(s) (4-Cyanobenzyl)triphenylphosphonium
  • SMILES C1=CC=C(C=C1)[P+](CC2=CC=C(C=C2)C#N)(C3=CC=CC=C3)C4=CC=CC=C4.[Cl-]

Description

Excitable by blue LEDs, this photocatalyst was reported by the Nicewicz laboratory for catalysis of O-aryl carbamothioates to S-aryl carbamothioates at ambient temperatures, an improvement from the elevated reaction temperatures traditionally needed in the Newman-Kwart rearrangment or palladium catalysis. Effective for scale-up or flow chemistry, this triarylpyrylium salt provides convenient access to thiophenols from phenols.

Synthesis

  • Route1
    • null|null
      603-35-0
    • 4-(Chloromethyl)benzonitrile|CS-W004115
      874-86-2
    • ~87%
    • (4-Cyanobenzyl)triphenylphosphonium chloride|CS-0464708
      20430-33-5

    References

    • Ho, Jinn-Hsuan; Lee, Ya-Wen; Chen, Ying-Zhe; Chen, Pin-Sian; Liu, Wei-Qi; Ding, Yi-Shun Tetrahedron, 2013 , vol. 69, # 35 p. 7325 - 7332
  • Route2

    References

    • Journal of Organic Chemistry, , vol. 58, # 21 p. 5643 - 5649

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 3278
Class : 6.1
Packing Group : Ⅲ
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

Quality Control

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Computational Chemistry Data

  • TPSA   23.79
  • LogP   2.05638
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   5

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