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CS-W001157 4
Total: USD 88.00

3-Phenoxyaniline

  • CAS No. 3586-12-7

  • Cat. No. CS-0072566
  • Purity≥97%
  • MDL No.None

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

3-Phenoxyaniline|CS-0072566

Structure of 3586-12-7

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General Information

  • CAS No. 3586-12-7
  • Cat. No. CS-0072566
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₁NO
  • Molecular Weight 185.22
  • Synonym(s) M-PHENOXYANILINE
  • SMILES NC1=CC(OC2=CC=CC=C2)=CC=C1

Description

3-Phenoxyaniline features a phenoxy substituent attached to an aniline scaffold, delivering enhanced solubility and stability compared to unsubstituted analogs. This electron-rich aryl amine integrates readily into pharmaceutical intermediates and functional polymers, offering robust performance under standard reaction conditions.

Application

3-Phenoxyaniline serves as a versatile building block in medicinal chemistry and agrochemical synthesis, enabling the construction of heterocyclic scaffolds through standard coupling and cyclization reactions. Its ortho-phenoxy substitution pattern provides enhanced metabolic stability and favorable electronic properties for target engagement. The compound exhibits good bench stability, facilitates straightforward purification, and demonstrates broad functional group tolerance in amide formation, Suzuki coupling, and electrophilic aromatic substitution workflows.

Synthesis

  • Route1
    • In-stock
      Iodobenzene|CS-W008603
      591-50-4
    • null|null
      591-27-5
    • ~93%
    • In-stock
      3-Phenoxyaniline|CS-0072566
      3586-12-7

    References

    • Tetrahedron Letters, , vol. 53, # 35 p. 4665 - 4668
  • Route2
    • null|null
      108-86-1
    • null|null
      591-27-5
    • ~93%
    • In-stock
      3-Phenoxyaniline|CS-0072566
      3586-12-7

    References

    • Tetrahedron Letters, , vol. 53, # 35 p. 4665 - 4668
  • Route3
    • 1-Nitro-3-phenoxybenzene|CS-0668612
      620-55-3
    • ~%
    • In-stock
      3-Phenoxyaniline|CS-0072566
      3586-12-7

    References

    • Yakugaku Zasshi, , vol. 75, p. 1077,1079 Chem.Abstr., , p. 5618 Collection of Czechoslovak Chemical Communications, , vol. 24, p. 1170 Experientia, , vol. 13, p. 495

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+H312+H332-H315-H319-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   35.25
  • LogP   3.0611
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   2

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