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CS-W001157 4
Total: USD 88.00

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

  • CAS No. 882562-39-2

  • Cat. No. CS-0004203
  • Purity≥97%
  • MDL No.MFCD10696634

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

(1-Tosyl-1H-pyrrolo[2,3-b]pyridin-3-yl)boronic acid|CS-0004203

Structure of 882562-39-2

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General Information

  • CAS No. 882562-39-2
  • Cat. No. CS-0004203
  • Purity ≥97%
  • MDL No. MFCD10696634
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₃BN₂O₄S
  • Molecular Weight 316.14
  • Synonym(s) 1-tosyl-1H-pyrrolo[2,3-b]pyridin-3-ylboronic acid
  • SMILES OB(C1=CN(S(=O)(C2=CC=C(C)C=C2)=O)C3=NC=CC=C31)O

Synthesis

  • Route1
    • null|null
      5419-55-6
    • 3-Bromo-1-(4-methylbenzenesulfonyl)-1H-pyrrolo[2,3-b]pyridine|CS-0004235
      226085-18-3
    • ~71%
    • (1-Tosyl-1H-pyrrolo[2,3-b]pyridin-3-yl)boronic acid|CS-0004203
      882562-39-2

    References

    • VERTEX PHARMACEUTICALS INCORPORATED; TAYLOR, Lori, Kell; SEWELL, Kathryn, Lea; HOOCK, Thomas, Carl Patent: WO2014/74471 A1, 2014 ; Location in patent: Paragraph 0275-0277 ;
  • Route2
    • 1H-Pyrrolo[2,3-b]pyridine, 3-iodo-1-[(4-methylphenyl)sulfonyl]-|CS-0005152
      664982-01-8
    • ~21%
    • (1-Tosyl-1H-pyrrolo[2,3-b]pyridin-3-yl)boronic acid|CS-0004203
      882562-39-2

    References

    • CELLTECH R and D LIMITED Patent: WO2006/38001 A1, 2006 ; Location in patent: Page/Page column 39 ; WO 2006/038001 A1
  • Route3

    References

    • WO2013/6634 A2, ;

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
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   92.42
  • LogP   0.26152
  • H_Acceptors   6
  • H_Donors   2
  • Rotatable_Bonds   3

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