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CS-W001157 4
Total: USD 88.00

1-(6-Nitrobenzo[d][1,3]dioxol-5-yl)ethanol

  • CAS No. 159873-64-0

  • Cat. No. CS-0042574
  • Purity≥95%
  • MDL No.None

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

1-(6-Nitrobenzo[d][1,3]dioxol-5-yl)ethanol|CS-0042574

Structure of 159873-64-0

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General Information

  • CAS No. 159873-64-0
  • Cat. No. CS-0042574
  • Purity ≥95%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₉NO₅
  • Molecular Weight 211.17
  • Synonym(s) α-Methyl-6-nitropiperonyl Alcohol
  • SMILES CC(O)C1=C([N+]([O-])=O)C=C(OCO2)C2=C1

Description

1-(6-Nitrobenzo[d][1,3]dioxol-5-yl)ethanol features a nitro-substituted benzodioxole core paired with a primary alcohol functionality, enabling direct conjugation or derivatization. The electron-deficient aromatic ring enhances reactivity in nucleophilic substitution processes, while the pendant hydroxyl group offers polarity and solubility advantages. This scaffold serves as a key building block for bioactive molecule synthesis.

Application

1-(6-Nitrobenzo[d][1,3]dioxol-5-yl)ethanol serves as a versatile synthetic intermediate for nitro-substituted benzodioxole scaffolds. Its benzylic alcohol functionality enables straightforward derivatization via oxidation, protection, or coupling reactions. The molecule exhibits good bench stability and facilitates access to bioactive heterocycles commonly found in medicinal chemistry campaigns, particularly those requiring electron-withdrawing nitro groups adjacent to oxygen-rich frameworks.

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   81.83
  • LogP   1.3768
  • H_Acceptors   5
  • H_Donors   1
  • Rotatable_Bonds   2

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