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(5-Cyano-1-methyl-1H-pyrrol-2-yl)boronic acid

  • CAS No. 860617-71-6

  • Cat. No. CS-0134744
  • Purity≥98%
  • MDL No.MFCD11976642

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

(5-Cyano-1-methyl-1H-pyrrol-2-yl)boronic acid|CS-0134744

Structure of 860617-71-6

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General Information

  • CAS No. 860617-71-6
  • Cat. No. CS-0134744
  • Purity ≥98%
  • MDL No. MFCD11976642
  • Storage -20°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₇BN₂O₂
  • Molecular Weight 149.94
  • Synonym(s) 5-Cyano-1-methyl-1H-pyrrol-2-ylboronic acid
  • SMILES OB(C1=CC=C(C#N)N1C)O

Synthesis

  • Route1

    References

    • WYETH Patent: WO2005/105817 A2, 2005 ; Location in patent: Page/Page column 24 ;
  • Route2
    • null|null
      868744-66-5
    • ~57%
    • (5-Cyano-1-methyl-1H-pyrrol-2-yl)boronic acid|CS-0134744
      860617-71-6

    References

    • Wyeth Patent: US2007/27125 A1, 2007 ; Location in patent: Page/Page column 11 ;
  • Route3
    • null|null
      96-54-8
    • ~%
    • (5-Cyano-1-methyl-1H-pyrrol-2-yl)boronic acid|CS-0134744
      860617-71-6

    References

    • McComas, Casey; Cohen, Jeffrey; Huselton, Christine; Marella, Michael; Melenski, Edward; Mugford, Cheryl; Slayden, Ov; Winneker, Richard; Wrobel, Jay; Yudt, Matthew R.; Fensome, Andrew Bioorganic and Medicinal Chemistry Letters, 2012 , vol. 22, # 23 p. 7119 - 7122

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-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   69.18
  • LogP   -1.42342
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   1

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