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CS-W001157 4
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Ethyl 1,2,3,4-tetrahydroisoquinoline-1-carboxylate

  • CAS No. 106181-28-6

  • Cat. No. CS-0200101
  • Molecule weight205.25
  • Purity≥98%
  • MDL No.None

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

Ethyl 1,2,3,4-tetrahydroisoquinoline-1-carboxylate|CS-0200101

Structure of 106181-28-6

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General Information

  • CAS No. 106181-28-6
  • Cat. No. CS-0200101
  • Purity ≥98%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₅NO₂
  • Molecular Weight 205.25
  • Synonym(s) 1,2,3,4-Tetrahydro-1-isoquinoline carboxylic acid ethyl ester
  • SMILES CCOC(=O)C1C2=CC=CC=C2CCN1

Synthesis

  • Route1
    • Ethyl isoquinoline-1-carboxylate|CS-0319963
      50458-78-1
    • ~%
    • Ethyl 1,2,3,4-tetrahydroisoquinoline-1-carboxylate|CS-0200101
      106181-28-6

    References

    • Journal of Medicinal Chemistry, , vol. 29, # 10 p. 1953 - 1961
  • Route2
    • null|null
      66384-49-4
    • ~%
    • Ethyl 1,2,3,4-tetrahydroisoquinoline-1-carboxylate|CS-0200101
      106181-28-6

    References

    • Journal of the American Chemical Society, , vol. 125, # 1 p. 163 - 168
  • Route3

    References

    • Tetrahedron Asymmetry, , vol. 18, # 12 p. 1428 - 1433

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   38.33
  • LogP   1.4365
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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