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CS-W001157 4
Total: USD 88.00

(4-(Hydroxymethyl)-3-methylphenyl)boronic acid

  • CAS No. 1218790-88-5

  • Cat. No. CS-0174823
  • Purity≥97%
  • MDL No.None

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

(4-(Hydroxymethyl)-3-methylphenyl)boronic acid|CS-0174823

Structure of 1218790-88-5

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General Information

  • CAS No. 1218790-88-5
  • Cat. No. CS-0174823
  • Purity ≥97%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₁BO₃
  • Molecular Weight 165.98
  • Synonym(s) 4-Hydroxymethyl-3-methylphenylboronic acid
  • SMILES CC1=CC(B(O)O)=CC=C1CO

Description

This boronate moiety integrates a hydroxymethyl group at the 4-position and a methyl substituent at the 3-position on a phenyl ring, delivering enhanced solubility and stability under standard conditions. The ortho-methyl group modulates electronic properties while enabling selective functionalization in cross-coupling reactions.

Application

(4-(Hydroxymethyl)-3-methylphenyl)boronic acid serves as a versatile building block in Suzuki-Miyaura cross-coupling reactions, enabling efficient construction of biaryl and heteroaryl architectures. The pendant hydroxymethyl group offers orthogonal functionality for downstream derivatization, while the boronic acid moiety provides excellent bench stability and compatibility with diverse reaction conditions. Its defined regiochemistry and predictable reactivity make it ideal for targeted synthesis of functionalized aromatic scaffolds in medicinal chemistry and materials science applications.

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   60.69
  • LogP   -0.83288
  • H_Acceptors   3
  • H_Donors   3
  • Rotatable_Bonds   2

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