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CS-W001157 4
Total: USD 88.00

2-(1-Methyl-1H-pyrazol-4-yl)acetonitrile

  • CAS No. 754159-15-4

  • Cat. No. CS-0052323
  • Purity≥98%
  • MDL No.None

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

2-(1-Methyl-1H-pyrazol-4-yl)acetonitrile|CS-0052323

Structure of 754159-15-4

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General Information

  • CAS No. 754159-15-4
  • Cat. No. CS-0052323
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₇N₃
  • Molecular Weight 121.14
  • Synonym(s) (1-methyl-1H-pyrazol-4-yl)acetonitrile
  • SMILES CN1C=C(CC#N)C=N1

Synthesis

  • Route1
    • In-stock
      1-Methyl-1H-pyrazole-4-carboxaldehyde|CS-W019871
      25016-11-9
    • null|null
      38622-91-2
    • ~63%
    • In-stock
      2-(1-Methyl-1H-pyrazol-4-yl)acetonitrile|CS-0052323
      754159-15-4

    References

    • MERCK SHARP and DOHME CORP.; CHILDREN'S HOSPITAL OF PHILADELPHIA; COLE, Kristina; MARIS, John; RUSSELL, Michael; BENITA, Yair; KUBICA, Jamie; SHUMWAY, Stuart Denham Patent: WO2014/62454 A1, 2014 ; Location in patent: Page/Page column 34 ;
  • Route2
    • In-stock
      4-(Chloromethyl)-1-methyl-1H-pyrazole hydrochloride|CS-0603009
      154312-86-4
    • null|null
      13435-20-6
    • ~%
    • In-stock
      2-(1-Methyl-1H-pyrazol-4-yl)acetonitrile|CS-0052323
      754159-15-4

    References

    • SCHERING CORPORATION Patent: WO2008/153870 A1, 2008 ; Location in patent: Page/Page column 30-31 ;
  • Route3
    • null|null
      735241-98-2
    • ~%
    • In-stock
      2-(1-Methyl-1H-pyrazol-4-yl)acetonitrile|CS-0052323
      754159-15-4

    References

    • Frey, Robin R.; Curtin, Michael L.; Albert, Daniel H.; Glaser, Keith B.; Pease, Lori J.; Soni, Niru B.; Bouska, Jennifer J.; Reuter, David; Stewart, Kent D.; Marcotte, Patrick; Bukofzer, Gail; Li, Junling; Davidsen, Steven K.; Michaelides, Michael R. Journal of Medicinal Chemistry, 2008 , vol. 51, # 13 p. 3777 - 3787

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   41.61
  • LogP   0.48618
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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