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tert-Butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydropyridine-1(2H)-carboxylate

  • CAS No. 1121057-77-9

  • Cat. No. CS-0041078
  • Molecule weight309.21
  • Purity≥97%
  • MDL No.None

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

tert-Butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydropyridine-1(2H)-carboxylate|CS-0041078

Structure of 1121057-77-9

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General Information

  • CAS No. 1121057-77-9
  • Cat. No. CS-0041078
  • Purity ≥97%
  • MDL No. None
  • Storage -20°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₆H₂₈BNO₄
  • Molecular Weight 309.21
  • Synonym(s) None
  • SMILES O=C(N1C=C(B2OC(C)(C)C(C)(C)O2)CCC1)OC(C)(C)C

Description

tert-Butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydropyridine-1(2H)-carboxylate features a boronate ester group enabling facile Suzuki-Miyaura coupling. This bench-stable reagent integrates readily into complex heterocyclic scaffolds and delivers functionalized dihydropyridine derivatives under mild reaction conditions.

Application

tert-Butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydropyridine-1(2H)-carboxylate serves as a stable, bench-ready building block for Suzuki-Miyaura cross-coupling reactions. The boronate ester functionality enables efficient C–C bond formation under mild conditions, while the dihydropyridine core provides a versatile scaffold for further functionalization. Its excellent stability, compatibility with diverse reaction partners, and straightforward purification make it ideal for iterative synthesis in medicinal chemistry and process development workflows.

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   48
  • LogP   3.5326
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   1

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