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CS-W001157 4
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Dimethyl({3-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]propyl})amine

  • CAS No. 847818-72-8

  • Cat. No. CS-0049610
  • Purity≥97%
  • MDL No.None

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

Dimethyl({3-[4-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazol-1-yl]propyl})amine|CS-0049610

Structure of 847818-72-8

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General Information

  • CAS No. 847818-72-8
  • Cat. No. CS-0049610
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₂₆BN₃O₂
  • Molecular Weight 279.19
  • Synonym(s) N,N-Dimethyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrazole-1-propanamine
  • SMILES CN(C)CCCN1C=C(C=N1)B1OC(C)(C)C(C)(C)O1

Synthesis

  • Route1

    References

    • Katz, Jason D.; Jewell, James P.; Guerin, David J.; Lim, Jongwon; Dinsmore, Christopher J.; Deshmukh, Sujal V.; Pan, Bo-Sheng; Marshall, C. Gary; Lu, Wei; Altman, Michael D.; Dahlberg, William K.; Davis, Lenora; Falcone, Danielle; Gabarda, Ana E.; Hang, Gaozhen; Hatch, Harold; Holmes, Rachael; Kunii, Kaiko; Lumb, Kevin J.; Lutterbach, Bart; Mathvink, Robert; Nazef, Naim; Patel, Sangita B.; Qu, Xianlu; Reilly, John F.; Rickert, Keith W.; Rosenstein, Craig; Soisson, Stephen M.; Spencer, Kerrie B.; Szewczak, Alexander A.; Walker, Deborah; Wang, Wenxian; Young, Jonathan; Zeng, Qinwen Journal of Medicinal Chemistry, 2011 , vol. 54, # 12 p. 4092 - 4108
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    References

    • Perry, Benjamin; Beevers, Rebekah; Bennett, Gavin; Buckley, George; Crabbe, Tom; Gowers, Lewis; James, Lynwen; Jenkins, Kerry; Lock, Chris; Sabin, Verity; Wright, Sara Bioorganic and Medicinal Chemistry Letters, 2008 , vol. 18, # 19 p. 5299 - 5302
  • Route3

    References

    • Ivachtchenko, Alexandre V.; Kravchenko, Dmitry V.; Zheludeva, Valentina I.; Pershin, Dmitry G. Journal of Heterocyclic Chemistry, 2004 , vol. 41, # 6 p. 931 - 939

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

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Computational Chemistry Data

  • TPSA   39.52
  • LogP   1.134
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   5

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