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Ethyl 2-(2,5-dimethyl-1H-pyrrol-1-yl)acetate

  • CAS No. 5044-21-3

  • Cat. No. CS-0200125
  • Purity≥97%
  • MDL No.None

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

Ethyl 2-(2,5-dimethyl-1H-pyrrol-1-yl)acetate|CS-0200125

Structure of 5044-21-3

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General Information

  • CAS No. 5044-21-3
  • Cat. No. CS-0200125
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₅NO₂
  • Molecular Weight 181.23
  • Synonym(s) Ethyl 2,5-dimethylpyrrole-1-acetate
  • SMILES CCOC(=O)CN1C(=CC=C1C)C

Synthesis

  • Route1

    References

    • IRONWOOD PHARMACEUTICALS, INC.; JIA, James; GRAUL, Regina; SCHAIRER, Wayne, C.; KARNATI, Vishnu; FORSLUND, Ray Patent: WO2012/78210 A1, 2012 ; Location in patent: Page/Page column 33-34 ;

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Computational Chemistry Data

  • TPSA   31.23
  • LogP   1.66804
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   3

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