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Methyl 6-((4-methylphenyl)sulfonamido)nicotinate

  • CAS No. 209971-44-8

  • Cat. No. CS-0449827
  • Purity≥98%
  • MDL No.None

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

Methyl 6-((4-methylphenyl)sulfonamido)nicotinate|CS-0449827

Structure of 209971-44-8

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General Information

  • CAS No. 209971-44-8
  • Cat. No. CS-0449827
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₄N₂O₄S
  • Molecular Weight 306.34
  • Synonym(s) Methyl 6-{[(4-methylphenyl)sulfonyl]imino}-3(1H)-pyridinecarboxylate
  • SMILES CC1=CC=C(C=C1)S(=O)(=O)NC2=NC=C(C=C2)C(=O)OC

Synthesis

  • Route1

    References

    • Baffoe, Jonathan; Hoe, Madelene Y.; Barry Tou Re Organic Letters, 2010 , vol. 12, # 7 p. 1532 - 1535
  • Route2

    References

    • TAKEDA PHARMACEUTICAL COMPANY LIMITED; BRESSI, Jerome, C.; CHU, Shaosong; ERICKSON, Philip; KOMANDLA, Mallareddy; KWOK, Lily; LAWSON, John, D.; STAFFORD, Jeffrey, A.; WALLACE, Michael, B.; ZHANG, Zhiyuan; DAS, Sanjib Patent: WO2010/19899 A1, 2010 ; Location in patent: Page/Page column 126 ;

Safety Information

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Computational Chemistry Data

  • TPSA   85.36
  • LogP   1.97742
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   4

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