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CS-W001157 4
Total: USD 88.00

4-(Tert-Butyl)benzene-1,2-diamine

  • CAS No. 68176-57-8

  • Cat. No. CS-W008362
  • Purity≥97%
  • MDL No.MFCD00052695

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

4-(Tert-Butyl)benzene-1,2-diamine|CS-W008362

Structure of 68176-57-8

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General Information

  • CAS No. 68176-57-8
  • Cat. No. CS-W008362
  • Purity ≥97%
  • MDL No. MFCD00052695
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₆N₂
  • Molecular Weight 164.25
  • Synonym(s) 4-(tert-Butyl)-o-phenylenediamine
  • SMILES NC1=CC=C(C(C)(C)C)C=C1N

Description

4-(Tert-Butyl)benzene-1,2-diamine features a sterically hindered tert-butyl group that enhances solubility and stability in organic media. The para-substituted diamine moiety enables efficient coordination in catalytic systems and serves as a robust building block for functionalized polymers and chelating ligands under standard conditions.

Application

4-(Tert-Butyl)benzene-1,2-diamine serves as a versatile ortho-diamine building block for the synthesis of functionalized heterocycles and coordination complexes. Its tert-butyl group imparts steric bulk and enhanced bench stability, while the diamine functionality enables reliable coupling reactions and metal chelation. This compound facilitates access to bioactive scaffolds and advanced ligands in medicinal chemistry and materials science workflows.

Synthesis

  • Route1

    References

    • Chemische Berichte, , vol. 20, p. 3257 Chemische Berichte, , vol. 21, p. 2952
  • Route2
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    • In-stock
      4-(Tert-Butyl)benzene-1,2-diamine|CS-W008362
      68176-57-8

    References

    • Journal of Medicinal Chemistry, , vol. 38, # 25 p. 4906 - 4916
  • Route3

    References

    • Journal of Medicinal Chemistry, , vol. 38, # 25 p. 4906 - 4916

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   52.04
  • LogP   2.1485
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   0

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