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1,6-Naphthyridine-6(5H)-carboxylic acid, 7,8-dihydro-2-(hydroxymethyl)-, 1,1-dimethylethyl ester

  • CAS No. 1868106-31-3

  • Cat. No. CS-0039755
  • Molecule weight264.32
  • Purity≥95%
  • MDL No.MFCD28992190

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

1,6-Naphthyridine-6(5H)-carboxylic acid, 7,8-dihydro-2-(hydroxymethyl)-, 1,1-dimethylethyl ester|CS-0039755

Structure of 1868106-31-3

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General Information

  • CAS No. 1868106-31-3
  • Cat. No. CS-0039755
  • Purity ≥95%
  • MDL No. MFCD28992190
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₂₀N₂O₃
  • Molecular Weight 264.32
  • Synonym(s) tert-Butyl 2-(hydroxymethyl)-7,8-dihydro-5H-1,6-naphthyridine-6-carboxylate
  • SMILES O=C(N1CC2=C(N=C(CO)C=C2)CC1)OC(C)(C)C

Description

This ester derivative of 1,6-naphthyridine-6(5H)-carboxylic acid features a protected carboxylic acid group flanked by a sterically hindered tert-butyl moiety and a hydroxymethyl substituent. The molecule integrates a bench-stable, electron-deficient heterocyclic core with a pendant alcohol functionality, enabling controlled deprotection and downstream conjugation in synthetic sequences.

Application

This ester serves as a stable, bench-ready building block for constructing naphthyridine-based scaffolds in medicinal chemistry. The tert-butyl ester group enables straightforward deprotection under mild acidic conditions, while the hydroxymethyl functionality offers a handle for further derivatization. It functions effectively in standard coupling and cyclization protocols, supporting efficient access to complex heterocyclic architectures relevant to API development.

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-P270-P271-P280-P302+P352-P304+P340-P330-P362-P405-P501

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Computational Chemistry Data

  • TPSA   62.66
  • LogP   1.8671
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   1

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