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3-Chloro-2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine

  • CAS No. 1083168-91-5

  • Cat. No. CS-0174397
  • Purity≥98%
  • MDL No.None

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

3-Chloro-2-methoxy-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine|CS-0174397

Structure of 1083168-91-5

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General Information

  • CAS No. 1083168-91-5
  • Cat. No. CS-0174397
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₇BClNO₃
  • Molecular Weight 269.53
  • Synonym(s) 3-Chloro-2-methoxy-5-(4,4,5,5-tetramethyl-[1,3,2] dioxaborolan-2-yl)-pyridine
  • SMILES CC1(C(C)(OB(O1)C2=CC(Cl)=C(OC)N=C2)C)C

Synthesis

  • Route1

    References

    • VERTEX PHARMACEUTICALS INCORPORATED Patent: WO2008/141119 A2, 2008 ; Location in patent: Page/Page column 102-103 ; WO 2008/141119 A2

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 : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   40.58
  • LogP   2.0428
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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