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CS-W001157 4
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(3-((tert-Butoxycarbonyl)amino)-4-methylphenyl)boronic acid

  • CAS No. 850568-81-9

  • Cat. No. CS-0136575
  • Molecule weight251.09
  • Purity≥97%
  • MDL No.MFCD04115654

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

(3-((tert-Butoxycarbonyl)amino)-4-methylphenyl)boronic acid|CS-0136575

Structure of 850568-81-9

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General Information

  • CAS No. 850568-81-9
  • Cat. No. CS-0136575
  • Purity ≥97%
  • MDL No. MFCD04115654
  • 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-(5-borono-2-methylphenyl)-, 1,1-dimethylethyl ester
  • SMILES O=C(OC(C)(C)C)NC1=CC(B(O)O)=CC=C1C

Description

This boronate reagent features a tert-butoxycarbonyl-protected amine and a methyl-substituted phenyl ring, enabling selective coupling in Suzuki-Miyaura reactions. The electron-rich arylboronic acid is bench-stable and moisture-tolerant, facilitating efficient integration into complex molecule synthesis under standard conditions.

Application

(3-((tert-Butoxycarbonyl)amino)-4-methylphenyl)boronic acid serves as a versatile building block for Suzuki-Miyaura coupling reactions, enabling efficient construction of biaryl scaffolds in medicinal chemistry and materials science. The protected amine group ensures stability during reaction conditions and allows orthogonal deprotection, while the boronic acid functionality exhibits reliable reactivity with aryl halides under mild catalytic conditions. Its bench-stable solid form facilitates handling and purification, making it well-suited for scalable synthesis and fragment-based drug discovery 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 : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   78.79
  • LogP   1.02182
  • H_Acceptors   4
  • H_Donors   3
  • Rotatable_Bonds   2

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