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CS-W001157 4
Total: USD 88.00

(3-Methoxy-4-nitrophenyl)methanol

  • CAS No. 80866-88-2

  • Cat. No. CS-W017062
  • Purity≥98%
  • MDL No.MFCD00007098

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

(3-Methoxy-4-nitrophenyl)methanol|CS-W017062

Structure of 80866-88-2

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General Information

  • CAS No. 80866-88-2
  • Cat. No. CS-W017062
  • Purity ≥98%
  • MDL No. MFCD00007098
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₉NO₄
  • Molecular Weight 183.16
  • Synonym(s) 3-Methoxy-4-nitrobenzyl alcohol
  • SMILES OCC1=CC=C([N+]([O-])=O)C(OC)=C1

Description

This (3-Methoxy-4-nitrophenyl)methanol features a para-nitro group flanked by a methoxy substituent, delivering enhanced solubility and stability. The benzylic alcohol moiety enables direct functionalization in synthesis, while the electron-deficient aromatic ring supports efficient coupling reactions under standard conditions.

Application

(3-Methoxy-4-nitrophenyl)methanol serves as a versatile building block for nitroaryl-containing scaffolds, enabling direct functionalization at the benzylic position. Its stability under standard synthetic conditions facilitates subsequent transformations such as reduction of the nitro group to an amine, coupling reactions, or electrophilic substitution. The methoxy and nitro groups provide orthogonal reactivity and electronic modulation, supporting applications in medicinal chemistry and agrochemical synthesis.

Synthesis

  • Route1

    References

    • Hay, Michael P.; Sykes, Bridget M.; Denny, William A.; O'Connor, Charmian J. Journal of the Chemical Society - Perkin Transactions 1, 1999 , # 19 p. 2759 - 2770
  • Route2

    References

    • Journal of the Chemical Society, , p. 221 - 222

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-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   72.6
  • LogP   1.0957
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   3

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