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CS-W001157 4
Total: USD 88.00

Diethyl 3-methyl-1H-pyrrole-2,4-dicarboxylate

  • CAS No. 5448-16-8

  • Cat. No. CS-M1178
  • Purity≥98%
  • MDL No.MFCD00030385

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

Diethyl 3-methyl-1H-pyrrole-2,4-dicarboxylate|CS-M1178

Structure of 5448-16-8

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General Information

  • CAS No. 5448-16-8
  • Cat. No. CS-M1178
  • Purity ≥98%
  • MDL No. MFCD00030385
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₅NO₄
  • Molecular Weight 225.24
  • Synonym(s) 3-METHYL-1H-PYRROLE 2,4-DICARBOXYLIC ACID DIETHYL ESTER
  • SMILES O=C(OCC)C1=CNC(C(OCC)=O)=C1C

Synthesis

  • Route1
    • null|null
      2999-46-4
    • null|null
      75-07-0
    • ~67%
    • Diethyl 3-methyl-1H-pyrrole-2,4-dicarboxylate|CS-M1178
      5448-16-8

    References

    • Shi, Zhongping; Kiau, Susanne; Lobben, Paul; Hynes Jr., John; Wu, Hong; Parlanti, Luca; Discordia, Robert; Doubleday, Wendel W.; Leftheris, Katerina; Dyckman, Alaric J.; Wrobleski, Stephen T.; Dambalas, Konstantinos; Tummala, Srinivas; Leung, Simon; Lo, Ehrlic Organic Process Research and Development, 2012 , vol. 16, # 10 p. 1618 - 1625
  • Route2

    References

    • Kamijo, Shin; Kanazawa, Chikashi; Yamamoto, Yoshinori Journal of the American Chemical Society, 2005 , vol. 127, # 25 p. 9260 - 9266
  • Route3
    • null|null
      222718-74-3
    • ~77%
    • Diethyl 3-methyl-1H-pyrrole-2,4-dicarboxylate|CS-M1178
      5448-16-8

    References

    • Lobben, Paul C. Patent: US2006/30708 A1, 2006 ; Location in patent: Page/Page column 12 ;

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   68.39
  • LogP   1.67652
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   4

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