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Methyl (1R,3R)-1-(benzo[d][1,3]dioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate hydrochloride

  • CAS No. 171752-68-4

  • Cat. No. CS-0083140
  • Molecule weight386.83
  • Purity≥98%
  • MDL No.MFCD09842269

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

Methyl (1R,3R)-1-(benzo[d][1,3]dioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate hydrochloride|CS-0083140

Structure of 171752-68-4

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General Information

  • CAS No. 171752-68-4
  • Cat. No. CS-0083140
  • Purity ≥98%
  • MDL No. MFCD09842269
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₂₀H₁₉ClN₂O₄
  • Molecular Weight 386.83
  • Synonym(s) methylester, monohydrochloride, (1R,3R)-
  • SMILES O=C([C@H]1CC2=C([C@@H](C3=CC=C(OCO4)C4=C3)N1)NC5=C2C=CC=C5)OC.[H]Cl

Description

This methyl (1R,3R)-1-(benzo[d][1,3]dioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate hydrochloride features a rigid, electron-rich pyridoindole core with a benzo[d][1,3]dioxol substituent, delivering enhanced solubility and stability under standard conditions. The chiral 1R,3R configuration ensures high stereochemical fidelity in synthetic applications.

Application

Methyl (1R,3R)-1-(benzo[d][1,3]dioxol-5-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate hydrochloride serves as a stable, bench-ready building block for the synthesis of pyridoindole-based scaffolds. Its defined stereochemistry and protected indole nitrogen enable reliable functionalization in medicinal chemistry workflows. The methyl ester group facilitates downstream transformations, while the hydrochloride salt enhances solubility and handling. This compound functions effectively in coupling reactions, reductive amination, and heterocycle elaboration.

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-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   72.58
  • LogP   3.0951
  • H_Acceptors   5
  • H_Donors   2
  • Rotatable_Bonds   2

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