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CS-W001157 4
Total: USD 88.00

Ethyl isoquinoline-1-carboxylate

  • CAS No. 50458-78-1

  • Cat. No. CS-0319963
  • Purity95+%
  • MDL No.None

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

Ethyl isoquinoline-1-carboxylate|CS-0319963

Structure of 50458-78-1

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General Information

  • CAS No. 50458-78-1
  • Cat. No. CS-0319963
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₁NO₂
  • Molecular Weight 201.22
  • Synonym(s) 1-Isoquinolinecarboxylic acid, ethyl ester
  • SMILES CCOC(=O)C1=NC=CC2=CC=CC=C21

Synthesis

  • Route1
    • null|null
      1111310-87-2
    • ~84%
    • Ethyl isoquinoline-1-carboxylate|CS-0319963
      50458-78-1

    References

    • Hui, Benjamin Wei-Qiang; Chiba, Shunsuke Organic Letters, 2009 , vol. 11, # 3 p. 729 - 732
  • Route2

    References

    • Padbury; Lindwall Journal of the American Chemical Society, 1945 , vol. 67, p. 1268
  • Route3
    • null|null
      175287-91-9
    • ~28%
    • Ethyl isoquinoline-1-carboxylate|CS-0319963
      50458-78-1
    • Ethyl 3,4-dihydroisoquinoline-1-carboxylate|CS-0676920
      88612-00-4

    References

    • Kohno, Harumichi; Yamada, Koichiro Heterocycles, 1999 , vol. 51, # 1 p. 103 - 117

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   39.19
  • LogP   2.4115
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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