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CS-W001157 4
Total: USD 88.00

Methyl 1-(benzenesulfonyl)-5-nitro-1H-pyrrolo[2,3-b]pyridine-3-carboxylate

  • CAS No. 858340-91-7

  • Cat. No. CS-0004211
  • Molecule weight361.33
  • Purity≥97%
  • MDL No.MFCD11616458

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

Methyl 1-(benzenesulfonyl)-5-nitro-1H-pyrrolo[2,3-b]pyridine-3-carboxylate|CS-0004211

Structure of 858340-91-7

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General Information

  • CAS No. 858340-91-7
  • Cat. No. CS-0004211
  • Purity ≥97%
  • MDL No. MFCD11616458
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₁₁N₃O₆S
  • Molecular Weight 361.33
  • Synonym(s) 1H-Pyrrolo[2,3-b]pyridine-3-carboxylic acid, 5-nitro-1-(phenylsulfonyl)-, methyl ester
  • SMILES O=C(C(C1=C2)=CN(S(=O)(C3=CC=CC=C3)=O)C1=NC=C2[N+]([O-])=O)OC

Synthesis

  • Route1
    • Methyl 1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxylate|CS-B1128
      245064-81-7
    • ~73%
    • Methyl 1-(benzenesulfonyl)-5-nitro-1H-pyrrolo[2,3-b]pyridine-3-carboxylate|CS-0004211
      858340-91-7

    References

    • PHARMACIA ITALIA S.p.A. Patent: WO2005/63747 A1, 2005 ; Location in patent: Page/Page column 41 ; WO 2005/063747 A1
  • Route2
    • null|null
      407-25-0
    • Methyl 1-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxylate|CS-B1128
      245064-81-7
    • ~76%
    • Methyl 1-(benzenesulfonyl)-5-nitro-1H-pyrrolo[2,3-b]pyridine-3-carboxylate|CS-0004211
      858340-91-7

    References

    • PHARMACIA ITALIA S.p.A. Patent: WO2005/63746 A1, 2005 ; Location in patent: Page/Page column 37 ; WO 2005/063746 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-H320-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   121.4
  • LogP   1.9681
  • H_Acceptors   8
  • H_Donors   0
  • Rotatable_Bonds   4

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