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CS-W001157 4
Total: USD 88.00

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

  • CAS No. 2199-45-3

  • Cat. No. CS-0151792
  • Purity≥95%
  • MDL No.MFCD04112537

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

Ethyl 4,5-dimethyl-1H-pyrrole-2-carboxylate|CS-0151792

Structure of 2199-45-3

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General Information

  • CAS No. 2199-45-3
  • Cat. No. CS-0151792
  • Purity ≥95%
  • MDL No. MFCD04112537
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₃NO₂
  • Molecular Weight 167.21
  • Synonym(s) Ethyl 2,3-diMethylpyrrole-5-carboxylate
  • SMILES CCOC(=O)C1=CC(=C(C)N1)C

Synthesis

  • Route1
    • null|null
      143193-92-4
    • In-stock
      Ethyl 2-(hydroxyimino)-3-oxobutanoate|CS-0008541
      5408-04-8
    • ~52%
    • In-stock
      Ethyl 4,5-dimethyl-1H-pyrrole-2-carboxylate|CS-0151792
      2199-45-3

    References

    • VERTEX PHARMACEUTICALS, INCORPORATED Patent: WO2005/42484 A1, 2005 ; Location in patent: Page/Page column 19-21 ;
  • Route2
    • null|null
      50708-35-5
    • null|null
      500801-00-3
    • ~66%
    • In-stock
      Ethyl 4,5-dimethyl-1H-pyrrole-2-carboxylate|CS-0151792
      2199-45-3

    References

    • Quiclet-Sire, Beatrice; Wendeborn, Frederique; Zard, Samir Z. Chemical Communications, 2002 , # 19 p. 2214 - 2215
  • Route3
    • null|null
      100445-43-0
    • ~90%
    • In-stock
      Ethyl 4,5-dimethyl-1H-pyrrole-2-carboxylate|CS-0151792
      2199-45-3

    References

    • Moody, Christopher J.; Rees, Charles W.; Rodrigues, J. Augusto R.; Tsoi, Siu Chung Journal of Chemical Research, Miniprint, 1985 , # 8 p. 2801 - 2817

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   42.09
  • LogP   1.80824
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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