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CS-W001157 4
Total: USD 88.00

1-Hydroxycyclobutanecarbonitrile

  • CAS No. 55767-58-3

  • Cat. No. CS-0039879
  • Purity≥97%
  • MDL No.None

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

1-Hydroxycyclobutanecarbonitrile|CS-0039879

Structure of 55767-58-3

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General Information

  • CAS No. 55767-58-3
  • Cat. No. CS-0039879
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₅H₇NO
  • Molecular Weight 97.12
  • Synonym(s) 1-Hydroxy-1-cyano-cyclobutan
  • SMILES N#CC1(O)CCC1

Synthesis

  • Route1
    • null|null
      1191-95-3
    • null|null
      7677-24-9
    • ~54%
    • 1-Hydroxycyclobutanecarbonitrile|CS-0039879
      55767-58-3

    References

    • THE GENERAL HOSPITAL CORPORATION; ANNOVATION BIOPHARMA, LLC; RAINES, Douglas, E.; HUSAIN, Syed Shaukat; RANDLE, John, C.R. Patent: WO2013/106717 A1, 2013 ; Location in patent: Paragraph 00193 ;
  • Route2
    • null|null
      1191-95-3
    • null|null
      143-33-9
    • ~%
    • 1-Hydroxycyclobutanecarbonitrile|CS-0039879
      55767-58-3

    References

    • Conley,R.T. Recueil des Travaux Chimiques des Pays-Bas, 1962 , vol. 81, p. 198 - 201
  • Route3
    • null|null
      1191-95-3
    • ~81%
    • 1-Hydroxycyclobutanecarbonitrile|CS-0039879
      55767-58-3

    References

    • Brown, Matthew F.; Mitton-Fry, Mark J.; Arcari, Joel T.; Barham, Rose; Casavant, Jeffrey; Gerstenberger, Brian S.; Han, Seungil; Hardink, Joel R.; Harris, Thomas M.; Hoang, Thuy; Huband, Michael D.; Lall, Manjinder S.; Lemmon, M. Megan; Li, Chao; Lin, Jian; McCurdy, Sandra P.; McElroy, Eric; McPherson, Craig; Marr, Eric S.; Mueller, John P.; Mullins, Lisa; Nikitenko, Antonia A.; Noe, Mark C.; Penzien, Joseph; Plummer, Mark S.; Schuff, Brandon P.; Shanmugasundaram, Veerabahu; Starr, Jeremy T.; Sun, Jianmin; Tomaras, Andrew; Young, Jennifer A.; Zaniewski, Richard P. Journal of Medicinal Chemistry, 2013 , vol. 56, # 13 p. 5541 - 5552

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   44.02
  • LogP   0.42498
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   0

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