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CS-W001157 4
Total: USD 88.00

3-(tert-Butyl)aniline

  • CAS No. 5369-19-7

  • Cat. No. CS-W002387
  • Purity≥97%
  • MDL No.MFCD00125078

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

3-(tert-Butyl)aniline|CS-W002387

Structure of 5369-19-7

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General Information

  • CAS No. 5369-19-7
  • Cat. No. CS-W002387
  • Purity ≥97%
  • MDL No. MFCD00125078
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₅N
  • Molecular Weight 149.23
  • Synonym(s) Aniline, m-tert-butyl-,
  • SMILES CC(C)(C1=CC(N)=CC=C1)C

Description

3-(tert-Butyl)aniline features a sterically hindered tert-butyl group positioned meta to the amino functionality, enhancing stability and reducing unwanted side reactions. This electron-donating substituent modulates reactivity in coupling processes and facilitates handling under standard bench conditions. The compound serves as a robust building block for functionalized aromatic scaffolds in pharmaceutical and materials synthesis.

Application

3-(tert-Butyl)aniline serves as a valuable building block in medicinal chemistry and materials science, offering enhanced solubility and steric bulk due to the tert-butyl group. It functions as a versatile precursor in amide coupling, electrophilic aromatic substitution, and transition-metal-catalyzed cross-coupling reactions. The compound exhibits excellent bench stability and facilitates purification via standard chromatographic methods, making it well-suited for iterative synthesis workflows in API development and functional material design.

Synthesis

  • Route1
    • 3-(tert-Butyl)cyclohexan-1-ol|CS-1259168
      4534-70-7
    • ~93%
    • In-stock
      3-(tert-Butyl)aniline|CS-W002387
      5369-19-7

    References

    • US4355180 A1, ;
  • Route2
    • In-stock
      1-Bromo-4-(tert-butyl)-2-nitrobenzene|CS-0531888
      70729-05-4
    • ~%
    • In-stock
      3-(tert-Butyl)aniline|CS-W002387
      5369-19-7
    • null|null
      261711-70-0

    References

    • US6528510 B1, ;
  • Route3
    • null|null
      83451-66-5
    • null|null
      7440-05-3
    • ~97%
    • In-stock
      3-(tert-Butyl)aniline|CS-W002387
      5369-19-7

    References

    • US4429155 A1, ;

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   26.02
  • LogP   2.5663
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

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