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(5-phenyl-1-tosyl-1H-pyrrolo[2,3-b]pyridin-3-yl)boronic acid

  • CAS No. 890842-79-2

  • Cat. No. CS-0005110
  • Molecule weight392.24
  • Purity≥98%
  • MDL No.None

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

(5-phenyl-1-tosyl-1H-pyrrolo[2,3-b]pyridin-3-yl)boronic acid|CS-0005110

Structure of 890842-79-2

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General Information

  • CAS No. 890842-79-2
  • Cat. No. CS-0005110
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₂₀H₁₇BN₂O₄S
  • Molecular Weight 392.24
  • Synonym(s) Carbamic acid,(1-((4-chlorophenoxy)acetyl)-1H-benzimidazol-2-yl)-,methyl ester
  • SMILES O=S(N1C(C(C(B(O)O)=C1)=C2)=NC=C2C3=CC=CC=C3)(C(C=C4)=CC=C4C)=O

Synthesis

  • Route1
    • null|null
      348640-93-7
    • ~80%
    • (5-phenyl-1-tosyl-1H-pyrrolo[2,3-b]pyridin-3-yl)boronic acid|CS-0005110
      890842-79-2

    References

    • SMITHKLINE BEECHAM CORPORATION Patent: WO2006/63167 A1, 2006 ; Location in patent: Page/Page column 53 ; WO 2006/063167 A1

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
Precautionary Statements : P264-P270-P280-P302+P352-P330-P362+P364-P501

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Computational Chemistry Data

  • TPSA   92.42
  • LogP   1.92852
  • H_Acceptors   6
  • H_Donors   2
  • Rotatable_Bonds   4

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