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CS-W001157 4
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1-(3-Nitrophenyl)ethanamine

  • CAS No. 90271-37-7

  • Cat. No. CS-W020659
  • Molecule weight166.18
  • Purity≥95%
  • MDL No.MFCD04974122

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

1-(3-Nitrophenyl)ethanamine|CS-W020659

Structure of 90271-37-7

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General Information

  • CAS No. 90271-37-7
  • Cat. No. CS-W020659
  • Purity ≥95%
  • MDL No. MFCD04974122
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₀N₂O₂
  • Molecular Weight 166.18
  • Synonym(s) 2-(3-nitrophenyl)ethanamine
  • SMILES NC(C)C1=CC=CC([N+]([O-])=O)=C1

Description

1-(3-Nitrophenyl)ethanamine features a para-nitro-substituted phenyl ring attached to an ethylamine side chain, delivering a potent electron-deficient aromatic system. This configuration enables direct incorporation into pharmaceutical intermediates and bioactive scaffolds, offering enhanced reactivity in nucleophilic substitution and coupling reactions under standard conditions.

Application

1-(3-Nitrophenyl)ethanamine serves as a versatile building block for the synthesis of pharmacologically relevant heterocycles and functionalized arylamines. Its ortho-substituted nitro group enables directed metalation and facilitates subsequent transformations such as reduction to the amine, coupling reactions, and cyclization protocols. The molecule exhibits good bench stability and is compatible with standard purification techniques, making it well-suited for iterative synthetic sequences in medicinal chemistry and process development workflows.

Synthesis

  • Route1

    References

    • Talwar, Dinesh; Salguero, Noemi Poyatos; Robertson, Craig M.; Xiao, Jianliang Chemistry - A European Journal, 2014 , vol. 20, # 1 p. 245 - 252
  • Route2
    • null|null
      246240-16-4
    • ~%
    • In-stock
      1-(3-Nitrophenyl)ethanamine|CS-W020659
      90271-37-7

    References

    • US6369070 B1, ; US 6369070 B1
  • Route3
    • null|null
      7471-32-1
    • ~95%
    • In-stock
      1-(3-Nitrophenyl)ethanamine|CS-W020659
      90271-37-7

    References

    • Kouhkan, Mehri; Zeynizadeh, Behzad Bulletin of the Korean Chemical Society, 2011 , vol. 32, # 9 p. 3323 - 3326

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

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Computational Chemistry Data

  • TPSA   69.16
  • LogP   1.6145
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   2

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