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CS-W001157 4
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4-Bromo-2-tert-butylaniline

  • CAS No. 850012-44-1

  • Cat. No. CS-0039209
  • Purity≥97%
  • MDL No.MFCD09965991

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

4-Bromo-2-tert-butylaniline|CS-0039209

Structure of 850012-44-1

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General Information

  • CAS No. 850012-44-1
  • Cat. No. CS-0039209
  • Purity ≥97%
  • MDL No. MFCD09965991
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₄BrN
  • Molecular Weight 228.13
  • Synonym(s) 2-(tert-butyl)-4-bromophenylamine
  • SMILES NC1=CC=C(Br)C=C1C(C)(C)C

Description

4-Bromo-2-tert-butylaniline features a sterically hindered tert-butyl group flanking a brominated aromatic ring, enabling selective coupling reactions under mild conditions. This bench-stable derivative integrates efficiently into complex molecular architectures requiring electron-deficient aryl handles.

Application

4-Bromo-2-tert-butylaniline serves as a valuable building block in medicinal chemistry and agrochemical synthesis, offering orthogonal reactivity for Suzuki-Miyaura and Ullmann-type couplings. The tert-butyl group provides steric shielding and enhances metabolic stability, while the bromo substituent enables reliable cross-coupling transformations. Bench-stable and readily purified by recrystallization, it functions effectively in multi-step syntheses of complex heterocyclic scaffolds and functionalized aryl systems.

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   26.02
  • LogP   3.3288
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

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