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CS-W001157 4
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Methyl 5-chloro-4-(2-methoxy-2-oxoethyl)-2-methyl-1H-pyrrole-3-carboxylate

  • CAS No. 77978-86-0

  • Cat. No. CS-0331069
  • Molecule weight245.66
  • Purity≥97%
  • MDL No.None

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

Methyl 5-chloro-4-(2-methoxy-2-oxoethyl)-2-methyl-1H-pyrrole-3-carboxylate|CS-0331069

Structure of 77978-86-0

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General Information

  • CAS No. 77978-86-0
  • Cat. No. CS-0331069
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₂ClNO₄
  • Molecular Weight 245.66
  • Synonym(s) HYRGVAYMZCMMCF-UHFFFAOYSA-N
  • SMILES CC1=C(C(=C(Cl)N1)CC(=O)OC)C(=O)OC

Synthesis

  • Route1
    • Methyl 4-(2-methoxy-2-oxoethyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate|CS-0317174
      77978-74-6
    • ~63%
    • Methyl 5-chloro-4-(2-methoxy-2-oxoethyl)-2-methyl-1H-pyrrole-3-carboxylate|CS-0331069
      77978-86-0

    References

    • Dobeneck, Henning von; Brunner, Enno; Bunke, Holger; Metzner, Gerhard; Schmidt, Ruediger; et al. Liebigs Annalen der Chemie, 1981 , # 3 p. 410 - 424
  • Route2

    References

    • Dobeneck, Henning von; Brunner, Enno; Bunke, Holger; Metzner, Gerhard; Schmidt, Ruediger; et al. Liebigs Annalen der Chemie, 1981 , # 3 p. 410 - 424
  • Route3
    • 2-[4-(methoxycarbonyl)-5-methyl-2-oxo-2,3-dihydro-1h-pyrrol-3-yl]acetic acid|CS-0249415
      77978-73-5
    • ~%
    • Methyl 5-chloro-4-(2-methoxy-2-oxoethyl)-2-methyl-1H-pyrrole-3-carboxylate|CS-0331069
      77978-86-0

    References

    • Dobeneck, Henning von; Brunner, Enno; Bunke, Holger; Metzner, Gerhard; Schmidt, Ruediger; et al. Liebigs Annalen der Chemie, 1981 , # 3 p. 410 - 424

Safety Information

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

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Computational Chemistry Data

  • TPSA   68.39
  • LogP   1.47862
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   3

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