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CS-W001157 4
Total: USD 88.00

2-Methyl-4-nitrophenylboronic acid

  • CAS No. 1228829-54-6

  • Cat. No. CS-0130500
  • Molecule weight180.95
  • Purity≥98%
  • MDL No.None

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

2-Methyl-4-nitrophenylboronic acid|CS-0130500

Structure of 1228829-54-6

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General Information

  • CAS No. 1228829-54-6
  • Cat. No. CS-0130500
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₈BNO₄
  • Molecular Weight 180.95
  • Synonym(s) None
  • SMILES OB(O)C1=CC=C(C=C1C)[N+]([O-])=O

Description

2-Methyl-4-nitrophenylboronic acid features a boronate moiety flanked by a methyl group and an electron-deficient nitro substituent, enabling efficient coupling in Suzuki-Miyaura reactions. This bench-stable reagent integrates readily into complex molecule synthesis, offering enhanced reactivity and selectivity under standard conditions.

Application

2-Methyl-4-nitrophenylboronic acid serves as a versatile building block in Suzuki-Miyaura cross-coupling reactions, enabling efficient C–C bond formation under mild conditions. The nitro group enhances electrophilicity and facilitates downstream functionalization, while the methyl substituent provides steric control and improved bench stability. Its compatibility with diverse reaction partners and straightforward purification make it a practical choice for constructing complex aryl scaffolds in medicinal chemistry and materials science.

Safety Information

Download SDS
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-P280-P302+P352

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Computational Chemistry Data

  • TPSA   83.6
  • LogP   -0.41698
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   2

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