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CS-W001157 4
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Ethyl 5-(acetoxymethyl)-4-ethyl-3-methyl-1H-pyrrole-2-carboxylate

  • CAS No. 100619-73-6

  • Cat. No. CS-0318930
  • Molecule weight253.29
  • Purity95+%
  • MDL No.None

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

Ethyl 5-(acetoxymethyl)-4-ethyl-3-methyl-1H-pyrrole-2-carboxylate|CS-0318930

Structure of 100619-73-6

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General Information

  • CAS No. 100619-73-6
  • Cat. No. CS-0318930
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₉NO₄
  • Molecular Weight 253.29
  • Synonym(s) ethyl 5-[(acetyloxy)methyl]-4-ethyl-3-methyl-1H-pyrrole-2-carboxylate
  • SMILES CCC1=C(COC(=O)C)NC(=C1C)C(=O)OCC

Synthesis

  • Route1
    • Ethyl 4-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate|CS-W010619
      2199-47-5
    • ~79%
    • Ethyl 5-(acetoxymethyl)-4-ethyl-3-methyl-1H-pyrrole-2-carboxylate|CS-0318930
      100619-73-6

    References

    • Lash, Timothy D. Tetrahedron, 1998 , vol. 54, # 3-4 p. 359 - 374
  • Route2
    • Ethyl 4-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate|CS-W010619
      2199-47-5
    • Acetic acid lead|CS-0017958
      546-67-8
    • ~78%
    • Ethyl 5-(acetoxymethyl)-4-ethyl-3-methyl-1H-pyrrole-2-carboxylate|CS-0318930
      100619-73-6

    References

    • Lash, Timothy D.; Chen, Shaohua Tetrahedron, 2005 , vol. 61, # 49 p. 11577 - 11600
  • Route3
    • Ethyl 4-ethyl-3,5-dimethyl-1H-pyrrole-2-carboxylate|CS-W010619
      2199-47-5
    • null|null
      64-19-7
    • ~%
    • Ethyl 5-(acetoxymethyl)-4-ethyl-3-methyl-1H-pyrrole-2-carboxylate|CS-0318930
      100619-73-6

    References

    • Berezin, M. B.; Semeikin, A. S.; V'yugin, A. I. Russian Journal of Physical Chemistry, 1996 , vol. 70, # 8 p. 1265 - 1268 Zhurnal Fizicheskoi Khimii, 1996 , vol. 70, # 8 p. 1634 - 1636

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

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Computational Chemistry Data

  • TPSA   68.39
  • LogP   2.12532
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   5

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