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Methyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate

  • CAS No. 57060-86-3

  • Cat. No. CS-0005324
  • Purity≥98%
  • MDL No.MFCD03981003

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

Methyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate|CS-0005324

Structure of 57060-86-3

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General Information

  • CAS No. 57060-86-3
  • Cat. No. CS-0005324
  • Purity ≥98%
  • MDL No. MFCD03981003
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₃NO₂
  • Molecular Weight 191.23
  • Synonym(s) Methyl-1,2,3,4-tetrahydroisochinolin-3-carboxylat
  • SMILES O=C(OC)C1NCC2=C(C=CC=C2)C1

Description

Methyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate features a rigid, electron-rich tetrahydroisoquinoline core paired with a strategically positioned ester group. This scaffold serves as a key building block in alkaloid synthesis and medicinal chemistry, offering enhanced solubility and stability under standard conditions.

Application

Methyl 1,2,3,4-tetrahydroisoquinoline-3-carboxylate serves as a versatile building block in medicinal chemistry, enabling efficient access to isoquinoline-based scaffolds. The ester functionality facilitates subsequent transformations including hydrolysis, reduction, and coupling reactions. Its tetrahydroisoquinoline core exhibits favorable stability and functional group tolerance, supporting diverse derivatization for target-oriented synthesis.

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 : 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   38.33
  • LogP   0.8739
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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