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CS-W001157 4
Total: USD 88.00

Ethyl 4-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate

  • CAS No. 2199-47-5

  • Cat. No. CS-W010619
  • Purity≥97%
  • MDL No.MFCD00030376

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

Ethyl 4-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate|CS-W010619

Structure of 2199-47-5

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General Information

  • CAS No. 2199-47-5
  • Cat. No. CS-W010619
  • Purity ≥97%
  • MDL No. MFCD00030376
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₇NO₂
  • Molecular Weight 195.26
  • Synonym(s) ethyl 4-ethyl-3,5-dimethylpyrrole-2-carboxylate
  • SMILES O=C(C1=C(C)C(CC)=C(C)N1)OCC

Synthesis

  • Route1
    • Ethyl 4-acetyl-3,5-dimethyl-1h-pyrrole-2-carboxylate|CS-0298816
      2386-26-7
    • ~93%
    • Ethyl 4-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate|CS-W010619
      2199-47-5

    References

    • Antina; Guseva; Loginova; Semeikin; V'Yugin Russian Journal of General Chemistry, 2010 , vol. 80, # 11 p. 2374 - 2381
  • Route2
    • Diethyl 2-aminomalonate|CS-0113084
      6829-40-9
    • 3-Ethyl-2,4-pentanedione|CS-0095587
      1540-34-7
    • ~88%
    • Ethyl 4-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate|CS-W010619
      2199-47-5

    References

    • Paine, John B.; Dolphin, David Journal of Organic Chemistry, 1985 , vol. 50, # 26 p. 5598 - 5604
  • Route3
    • Ethyl 4-ethyl-3-methyl-1H-pyrrole-2-carboxylate|CS-0323150
      4391-98-4
    • ~%
    • Ethyl 4-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate|CS-W010619
      2199-47-5

    References

    • US4070366 A1, ;

Safety Information

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Computational Chemistry Data

  • TPSA   42.09
  • LogP   2.37064
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   3

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