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CS-W001157 4
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Ethyl 5,6-dimethylpyridine-3-carboxylate

  • CAS No. 77629-53-9

  • Cat. No. CS-0195606
  • Purity≥97%
  • MDL No.None

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

Ethyl 5,6-dimethylpyridine-3-carboxylate|CS-0195606

Structure of 77629-53-9

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General Information

  • CAS No. 77629-53-9
  • Cat. No. CS-0195606
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₃NO₂
  • Molecular Weight 179.22
  • Synonym(s) Ethyl 5,6-dimethylnicotinate
  • SMILES CCOC(=O)C1=CN=C(C)C(=C1)C

Synthesis

  • Route1
    • Ethyl 2,4-dichloro-5,6-dimethylnicotinate|CS-1635379
      77629-52-8
    • ~74%
    • Ethyl 5,6-dimethylpyridine-3-carboxylate|CS-0195606
      77629-53-9

    References

    • Seeman, Jeffrey I.; Secor, Henry V.; Chavdarian, Charles G.; Sanders, Edward B.; Bassfield, Ronald L.; Whidby, Jerry F. Journal of Organic Chemistry, 1981 , vol. 46, # 15 p. 3040 - 3048
  • Route2
    • null|null
      64-17-5
    • 5,6-Dimethylnicotinic acid hydrochloride|CS-0451336
      113124-10-0
    • ~78%
    • Ethyl 5,6-dimethylpyridine-3-carboxylate|CS-0195606
      77629-53-9

    References

    • Paine, John B. Journal of Heterocyclic Chemistry, 1987 , vol. 24, p. 351 - 355
  • Route3
    • Ethyl2,4-dihydroxy-5,6-dimethylnicotinate|CS-0172304
      77629-51-7
    • ~%
    • Ethyl 5,6-dimethylpyridine-3-carboxylate|CS-0195606
      77629-53-9

    References

    • Journal of Organic Chemistry, , vol. 46, # 15 p. 3040 - 3048

Safety Information

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GHS Pictogram : N/A
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Signal Word : N/A
UN#: N/A
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Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   39.19
  • LogP   1.87514
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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