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CS-W001157 4
Total: USD 88.00

4-Phenoxybenzene-1,2-diamine

  • CAS No. 13940-96-0

  • Cat. No. CS-W005747
  • Purity≥97%
  • MDL No.MFCD09038592

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

4-Phenoxybenzene-1,2-diamine|CS-W005747

Structure of 13940-96-0

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General Information

  • CAS No. 13940-96-0
  • Cat. No. CS-W005747
  • Purity ≥97%
  • MDL No. MFCD09038592
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₂N₂O
  • Molecular Weight 200.24
  • Synonym(s) 4-Phenoxy-1,2-phenylenediamine
  • SMILES NC1=C(N)C=C(OC2=CC=CC=C2)C=C1

Description

4-Phenoxybenzene-1,2-diamine features a rigid aromatic core with two ortho-amino groups flanking a phenoxy linker, enabling strong coordination in metal complexation. This electron-rich scaffold integrates readily into functional materials and serves as a key building block for bioactive heterocycles.

Application

4-Phenoxybenzene-1,2-diamine serves as a versatile building block for heterocyclic scaffolds and functionalized aromatic systems. Its ortho-diamine motif enables reliable cyclization with dicarboxylic acid derivatives or carbonyl compounds to form quinazoline, benzimidazole, and related frameworks. The phenoxy substituent enhances solubility and provides a handle for further derivatization. Bench-stable and readily purified by recrystallization, it functions effectively in standard coupling and condensation workflows.

Synthesis

  • Route1
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      58306-60-8
    • ~%
    • In-stock
      4-Phenoxybenzene-1,2-diamine|CS-W005747
      13940-96-0

    References

    • Monatshefte fuer Chemie, , vol. 57, p. 31,38
  • Route2

    References

    • Journal of Heterocyclic Chemistry, , vol. 34, # 3 p. 745 - 748
  • Route3
    • 2-Nitro-4-phenoxyaniline|CS-0365290
      60854-00-4
    • ~%
    • In-stock
      4-Phenoxybenzene-1,2-diamine|CS-W005747
      13940-96-0

    References

    • Journal of the American Chemical Society, , vol. 56, p. 117,118

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   61.27
  • LogP   2.6433
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   2

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