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CS-W001157 4
Total: USD 88.00

5-(Ethoxycarbonyl)-4-methyl-1H-pyrrole-3-carboxylic acid

  • CAS No. 90610-57-4

  • Cat. No. CS-0112020
  • Purity≥98%
  • MDL No.None

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

5-(Ethoxycarbonyl)-4-methyl-1H-pyrrole-3-carboxylic acid|CS-0112020

Structure of 90610-57-4

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General Information

  • CAS No. 90610-57-4
  • Cat. No. CS-0112020
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₁NO₄
  • Molecular Weight 197.19
  • Synonym(s) 5-ethoxycarbonyl-4-methyl-1H-pyrrole-3-carboxylic acid
  • SMILES O=C(C1=C(C)C(C(O)=O)=CN1)OCC

Synthesis

  • Route1
    • Diethyl 3-methyl-1H-pyrrole-2,4-dicarboxylate|CS-M1178
      5448-16-8
    • ~%
    • 5-(Ethoxycarbonyl)-4-methyl-1H-pyrrole-3-carboxylic acid|CS-0112020
      90610-57-4

    References

    • Treibs et al. Chemische Berichte, 1957 , vol. 90, p. 79,81
  • Route2
    • null|null
      4458-69-9
    • ~%
    • 5-(Ethoxycarbonyl)-4-methyl-1H-pyrrole-3-carboxylic acid|CS-0112020
      90610-57-4

    References

    • Treibs et al. Chemische Berichte, 1957 , vol. 90, p. 79,81

Safety Information

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GHS Pictogram : N/A
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UN#: N/A
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Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   79.39
  • LogP   1.19802
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   3

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