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CS-W001157 4
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Ethyl 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate

  • CAS No. 14028-68-3

  • Cat. No. CS-0061619
  • Purity≥97%
  • MDL No.None

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

Ethyl 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate|CS-0061619

Structure of 14028-68-3

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General Information

  • CAS No. 14028-68-3
  • Cat. No. CS-0061619
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₂₁NO₄
  • Molecular Weight 279.33
  • Synonym(s) 1-Ethoxycarbonylmethyl-6,7-Dimethoxy -1,2,3,4-Tetrahydro-Isoquinoline
  • SMILES CCOC(=O)CC1C2=CC(=C(C=C2CCN1)OC)OC

Description

Ethyl 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate features a tetrahydroisoquinoline core with strategically positioned dimethoxy groups enhancing electron density and solubility. This scaffold integrates readily into bioactive molecule synthesis, offering a stable, moisture-tolerant intermediate for medicinal chemistry campaigns.

Application

Ethyl 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate serves as a versatile building block for the synthesis of tetrahydroisoquinoline-based scaffolds. The dimethoxy substitution pattern enhances solubility and modulates electronic properties, while the ethyl acetate moiety enables facile functionalization via hydrolysis or nucleophilic displacement. Its bench-stable nature and compatibility with standard coupling reactions facilitate efficient access to bioactive molecules in medicinal chemistry campaigns.

Synthesis

  • Route1
    • null|null
      112342-27-5
    • ~93%
    • In-stock
      Ethyl 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate|CS-0061619
      14028-68-3

    References

    • Tietze, Lutz F.; Rackelmann, Nils; Mueller Chemistry - A European Journal, 2004 , vol. 10, # 11 p. 2722 - 2731
  • Route2
    • null|null
      79641-41-1
    • ~%
    • In-stock
      Ethyl 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate|CS-0061619
      14028-68-3

    References

    • Chemistry - A European Journal, , vol. 10, # 11 p. 2722 - 2731
  • Route3
    • null|null
      120-20-7
    • ~%
    • In-stock
      Ethyl 2-(6,7-dimethoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)acetate|CS-0061619
      14028-68-3

    References

    • Chemistry - A European Journal, , vol. 10, # 11 p. 2722 - 2731

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

Quality Control

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Computational Chemistry Data

  • TPSA   56.79
  • LogP   1.8438
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   5

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