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CS-W001157 4
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2,4-Diethyl 3-ethyl-1H-pyrrole-2,4-dicarboxylate

  • CAS No. 52921-22-9

  • Cat. No. CS-0057289
  • Molecule weight239.27
  • Purity≥98%
  • MDL No.MFCD12756031

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

2,4-Diethyl 3-ethyl-1H-pyrrole-2,4-dicarboxylate|CS-0057289

Structure of 52921-22-9

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General Information

  • CAS No. 52921-22-9
  • Cat. No. CS-0057289
  • Purity ≥98%
  • MDL No. MFCD12756031
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₇NO₄
  • Molecular Weight 239.27
  • Synonym(s) Diethyl 3-ethyl-1H-pyrrole-2,4-dicarboxylate
  • SMILES O=C(C1=C(CC)C(C(OCC)=O)=CN1)OCC

Synthesis

  • Route1
    • null|null
      2999-46-4
    • null|null
      123-38-6
    • ~59%
    • 2,4-Diethyl 3-ethyl-1H-pyrrole-2,4-dicarboxylate|CS-0057289
      52921-22-9

    References

    • Bristol Myers Squibb Company Patent: US6982265 B1, 2006 ; Location in patent: Page/Page column 94 ;
  • Route2

    References

    • Bhattacharya, Apurba; Cherukuri, Sankara; Plata, Robert Erik; Patel, Nitinchandra; Tamez Jr., Victoriano; Grosso, John A.; Peddicord, Michael; Palaniswamy, Venkatapuram A. Tetrahedron Letters, 2006 , vol. 47, # 31 p. 5481 - 5484
  • Route3
    • null|null
      3750-83-2
    • null|null
      2999-46-4
    • ~%
    • 2,4-Diethyl 3-ethyl-1H-pyrrole-2,4-dicarboxylate|CS-0057289
      52921-22-9
    • 3,4-Diethyl-1H-pyrrole-2-carboxylic acid ethyl ester|CS-0213408
      97336-41-9

    References

    • Tang; Verkade Journal of Organic Chemistry, 1994 , vol. 59, # 25 p. 7793 - 7802

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-H317
Precautionary Statements : P261-P264-P270-P272-P280-P302+P352-P330-P362+P364-P501

Quality Control

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Computational Chemistry Data

  • TPSA   68.39
  • LogP   1.9305
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   5

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