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CS-W001157 4
Total: USD 88.00

5-(Hydroxymethyl)-2-nitrophenol

  • CAS No. 61161-83-9

  • Cat. No. CS-M0515
  • Purity≥98%
  • MDL No.MFCD00086342

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

5-(Hydroxymethyl)-2-nitrophenol|CS-M0515

Structure of 61161-83-9

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General Information

  • CAS No. 61161-83-9
  • Cat. No. CS-M0515
  • Purity ≥98%
  • MDL No. MFCD00086342
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₇NO₄
  • Molecular Weight 169.13
  • Synonym(s) 3-hydroxy-4-nitro-benzyl alcohol
  • SMILES OC1=C([N+]([O-])=O)C=CC(CO)=C1

Description

5-(Hydroxymethyl)-2-nitrophenol features a para-nitro group flanking a hydroxymethyl-bearing phenolic ring, enabling direct functionalization in synthetic routes. This electron-deficient scaffold integrates readily into bioactive molecule frameworks and supports efficient derivatization under standard conditions.

Application

5-(Hydroxymethyl)-2-nitrophenol serves as a versatile building block in synthetic organic chemistry, enabling efficient access to functionalized heterocycles and pharmaceutical intermediates. Its ortho-nitro and hydroxymethyl groups provide complementary reactivity for selective transformations, including nucleophilic substitutions, metal-catalyzed couplings, and oxidation/reduction sequences. The compound exhibits good bench stability and facilitates straightforward purification, making it well-suited for iterative synthesis workflows in medicinal chemistry and process development.

Synthesis

  • Route1

    References

    • Palakollu, Veerabhadraiah; Kanvah, Sriram Journal of Photochemistry and Photobiology A: Chemistry, 2014 , vol. 281, p. 18 - 26
  • Route2

    References

    • La Clair, James J. Journal of the American Chemical Society, 1997 , vol. 119, # 33 p. 7676 - 7684
  • Route3
    • null|null
      121-43-7
    • In-stock
      3-Hydroxy-4-nitrobenzoic acid|CS-D0899
      619-14-7
    • null|null
      109-63-7
    • ~%
    • In-stock
      5-(Hydroxymethyl)-2-nitrophenol|CS-M0515
      61161-83-9

    References

    • US2005/5370 A1, ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05,GHS07
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H302-H315-H318-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   83.6
  • LogP   0.7927
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   2

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