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CS-W001157 4
Total: USD 88.00

tert-Butyl isonicotinate

  • CAS No. 81660-73-3

  • Cat. No. CS-0130445
  • Purity≥97%
  • MDL No.None

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

tert-Butyl isonicotinate|CS-0130445

Structure of 81660-73-3

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General Information

  • CAS No. 81660-73-3
  • Cat. No. CS-0130445
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₃NO₂
  • Molecular Weight 179.22
  • Synonym(s) None
  • SMILES O=C(OC(C)(C)C)C1=CC=NC=C1

Description

tert-Butyl isonicotinate features a sterically hindered tert-butyl ester group attached to the isonicotinate scaffold, delivering enhanced stability and ease of handling. This bench-stable derivative facilitates efficient incorporation into synthetic sequences, particularly in peptide coupling and macrocyclization reactions where controlled release is required.

Application

tert-Butyl isonicotinate serves as a stable, bench-ready ester handle for the isonicotinoyl moiety, enabling straightforward hydrolysis to yield isonicotinic acid under mild conditions. Its tert-butyl group provides enhanced stability and ease of purification, while the pyridine ring offers compatibility with diverse functional groups in cross-coupling and nucleophilic substitution reactions. Functions effectively as a building block in synthetic routes to heterocyclic scaffolds and pharmaceutical intermediates.

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   39.19
  • LogP   2.0369
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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