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CS-W001157 4
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Methyl 2-ethylpyridine-4-carboxylate

  • CAS No. 1531-16-4

  • Cat. No. CS-0127489
  • Molecule weight165.19
  • Purity≥98%
  • MDL No.MFCD11226397

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

Methyl 2-ethylpyridine-4-carboxylate|CS-0127489

Structure of 1531-16-4

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General Information

  • CAS No. 1531-16-4
  • Cat. No. CS-0127489
  • Purity ≥98%
  • MDL No. MFCD11226397
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₁NO₂
  • Molecular Weight 165.19
  • Synonym(s) Methyl 2-ethylisonicotinate
  • SMILES O=C(C1=CC(CC)=NC=C1)OC

Synthesis

  • Route1

    References

    • F. HOFFMANN-LA ROCHE AG; GALLEY, Guido; NORCROSS, Roger; PFLIEGER, Philippe Patent: WO2012/168265 A1, 2012 ; Location in patent: Page/Page column 97 ; WO 2012/168265 A1
  • Route2
    • null|null
      851762-26-0
    • ~41%
    • Methyl 2-ethylpyridine-4-carboxylate|CS-0127489
      1531-16-4

    References

    • Craig, Donald; Henry, Gavin D. Tetrahedron Letters, 2005 , vol. 46, # 15 p. 2559 - 2562
  • Route3

    References

    • Whelligan, Daniel K.; Solanki, Savade; Taylor, Dawn; Thomson, Douglas W.; Cheung, Kwai-Ming J.; Boxall, Kathy; Mas-Droux, Corine; Barillari, Caterina; Burns, Samantha; Grummitt, Charles G.; Collins, Ian; Van Montfort, Rob L. M.; Aherne, G. Wynne; Bayliss, Richard; Hoelder, Swen Journal of Medicinal Chemistry, 2010 , vol. 53, # 21 p. 7682 - 7698

Safety Information

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Computational Chemistry Data

  • TPSA   39.19
  • LogP   1.4306
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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