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CS-W001157 4
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(4-((Tert-butoxycarbonyl)(methyl)amino)phenyl)boronic acid

  • CAS No. 945756-49-0

  • Cat. No. CS-0159867
  • Purity≥98%
  • MDL No.MFCD03095105

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

(4-((Tert-butoxycarbonyl)(methyl)amino)phenyl)boronic acid|CS-0159867

Structure of 945756-49-0

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General Information

  • CAS No. 945756-49-0
  • Cat. No. CS-0159867
  • Purity ≥98%
  • MDL No. MFCD03095105
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₈BNO₄
  • Molecular Weight 251.09
  • Synonym(s) Carbamic acid, N-(4-boronophenyl)-N-methyl-, C-(1,1-dimethylethyl) ester
  • SMILES OB(O)C1=CC=C(N(C)C(OC(C)(C)C)=O)C=C1

Description

This boronate reagent features a tert-butoxycarbonyl-protected amine and a phenylboronic acid handle, enabling orthogonal functionalization in synthetic sequences. The protected amine allows for selective deprotection post-coupling, while the boronic acid group facilitates palladium-catalyzed cross-couplings under mild conditions. Designed for streamlined access to complex arylamine architectures, it offers bench-stable handling and compatibility with diverse reaction media.

Application

(4-((Tert-butoxycarbonyl)(methyl)amino)phenyl)boronic acid serves as a versatile building block for Suzuki-Miyaura coupling reactions, enabling the construction of biaryl scaffolds under mild conditions. The tert-butoxycarbonyl (Boc) group provides orthogonal protection for the amine functionality, allowing selective deprotection in subsequent steps. Its stability, ease of handling, and compatibility with diverse reaction partners make it well-suited for applications in medicinal chemistry and process 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 : 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   70
  • LogP   0.7377
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   2

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