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CS-W001157 4
Total: USD 88.00

Diethyl 1-methyl-1H-pyrazole-3,5-dicarboxylate

  • CAS No. 100852-80-0

  • Cat. No. CS-D0514
  • Purity≥97%
  • MDL No.MFCD02253786

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

Diethyl 1-methyl-1H-pyrazole-3,5-dicarboxylate|CS-D0514

Structure of 100852-80-0

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General Information

  • CAS No. 100852-80-0
  • Cat. No. CS-D0514
  • Purity ≥97%
  • MDL No. MFCD02253786
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₄N₂O₄
  • Molecular Weight 226.23
  • Synonym(s) 1-Methyl-1H-pyrazole-3,5-dicarboxylic acid diethyl ester
  • SMILES O=C(C1=NN(C)C(C(OCC)=O)=C1)OCC

Synthesis

  • Route1

    References

    • Ghosh, Arun K.; Lei, Hui; Devasamudram, Thippeswamy; Tang, Jordan J. N.; Bilcer, Geoffrey; Liu, Chungfeng Patent: US2008/125467 A1, 2008 ; Location in patent: Page/Page column 20 ;
  • Route2

    References

    • Iturrino; Navarro; Rodriguez-Franco; Contreras; Escario; Martinez; Del Rosario Pardo European Journal of Medicinal Chemistry, 1987 , vol. 22, # 5 p. 445 - 451
  • Route3
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    • Diethyl 1-methyl-1H-pyrazole-3,5-dicarboxylate|CS-D0514
      100852-80-0

    References

    • Iturrino; Navarro; Rodriguez-Franco; Contreras; Escario; Martinez; Del Rosario Pardo European Journal of Medicinal Chemistry, 1987 , vol. 22, # 5 p. 445 - 451

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   70.42
  • LogP   0.7735
  • H_Acceptors   6
  • H_Donors   0
  • Rotatable_Bonds   4

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