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CS-W001157 4
Total: USD 88.00

7H-Pyrrolo[2,3-d]pyrimidine-5-carbonitrile

  • CAS No. 454685-88-2

  • Cat. No. CS-0054374
  • Purity≥97%
  • MDL No.None

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

7H-Pyrrolo[2,3-d]pyrimidine-5-carbonitrile|CS-0054374

Structure of 454685-88-2

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General Information

  • CAS No. 454685-88-2
  • Cat. No. CS-0054374
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₄N₄
  • Molecular Weight 144.13
  • Synonym(s) 1H-Pyrrolo[2,3-d]pyrimidine-5-carbonitrile (9CI)
  • SMILES N#CC1=CNC2=NC=NC=C21

Synthesis

  • Route1
    • null|null
      1413065-79-8
    • ~64%
    • 7H-Pyrrolo[2,3-d]pyrimidine-5-carbonitrile|CS-0054374
      454685-88-2

    References

    • Billedeau, Roland Joseph; Kondru, Rama K.; Lopez-Tapia, Francisco Javier; Lou, Yan; Owens, Timothy D.; Qian, Yimin; So, Sung-Sau; Thakkar, Kshitij C.; Wanner, Jutta Patent: US2012/295885 A1, 2012 ; Location in patent: Page/Page column 61 ;
  • Route2
    • 6-Bromo-4-chloro-7h-pyrrolo[2,3-d]pyrimidine-5-carbonitrile|CS-0754306
      24391-39-7
    • ~51%
    • 7H-Pyrrolo[2,3-d]pyrimidine-5-carbonitrile|CS-0054374
      454685-88-2

    References

    • Wilding, Birgit; Winkler, Margit; Petschacher, Barbara; Kratzer, Regina; Egger, Sigrid; Steinkellner, Georg; Lyskowski, Andrzej; Nidetzky, Bernd; Gruber, Karl; Klempier, Norbert Chemistry - A European Journal, 2013 , vol. 19, # 22 p. 7007 - 7012
  • Route3

    References

    • Billedeau, Roland Joseph; Kondru, Rama K.; Lopez-Tapia, Francisco Javier; Lou, Yan; Owens, Timothy D.; Qian, Yimin; So, Sung-Sau; Thakkar, Kshitij C.; Wanner, Jutta Patent: US2012/295885 A1, 2012 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H311-H331
Precautionary Statements : P264-P270-P330-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   65.36
  • LogP   0.82958
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   0

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