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CS-W001157 4
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6-bromo-5-methyl-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one

  • CAS No. 116035-73-5

  • Cat. No. CS-0242888
  • Purity≥95%
  • MDL No.None

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

6-bromo-5-methyl-1,3-dihydro-2H-imidazo[4,5-b]pyridin-2-one|CS-0242888

Structure of 116035-73-5

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General Information

  • CAS No. 116035-73-5
  • Cat. No. CS-0242888
  • Purity ≥95%
  • MDL No. None
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₆BrN₃O
  • Molecular Weight 228.05
  • Synonym(s) 6-bromo-5-methyl-3H-imidazo[4,5-b]pyridin-2-ol
  • SMILES O=C1NC2=CC(Br)=C(C)N=C2N1

Synthesis

  • Route1

    References

    • TAKEDA PHARMACEUTICAL COMPANY LIMITED; CHERUVALLATH, Zacharia; KOMANDLA, Mallareddy; LAWSON, John David; MCBRIDE, Christopher; TANG, Mingnam Patent: WO2014/39831 A1, 2014 ; Location in patent: Paragraph 0151-0152 ;
  • Route2

    References

    • Yutilov; Lopatinskaya; Smolyar; Gres'Ko Russian Journal of Organic Chemistry, 2005 , vol. 41, # 3 p. 450 - 454
  • Route3

    References

    • Yutilov; Lopatinskaya; Smolyar; Gres'Ko Russian Journal of Organic Chemistry, 2005 , vol. 41, # 3 p. 450 - 454

Safety Information

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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   61.54
  • LogP   1.32212
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   0

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