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CS-W001157 4
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4-tert-Butylbenzylamine

  • CAS No. 39895-55-1

  • Cat. No. CS-W010843
  • Purity≥95%
  • MDL No.MFCD00040754

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

4-tert-Butylbenzylamine|CS-W010843

Structure of 39895-55-1

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General Information

  • CAS No. 39895-55-1
  • Cat. No. CS-W010843
  • Purity ≥95%
  • MDL No. MFCD00040754
  • Storage -20°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₇N
  • Molecular Weight 163.26
  • Synonym(s) 4-tort Butylbonzylamine; 4-tert-Butylbenzylamine
  • SMILES CC(C)(C)C1=CC=C(CN)C=C1

Description

4-tert-Butylbenzylamine features a bulky tert-butyl group that imparts steric shielding and enhanced stability, while the primary amine functionality enables straightforward derivatization. This combination delivers a bench-stable, moisture-tolerant building block ideal for constructing functionalized aromatic scaffolds in medicinal chemistry and materials science applications.

Application

4-tert-Butylbenzylamine serves as a versatile building block in medicinal chemistry and organic synthesis, offering a stable, sterically hindered aromatic amine for the construction of bioactive molecules. Its robust bench stability and compatibility with standard functional group manipulations enable efficient incorporation into pharmaceutical intermediates and heterocyclic scaffolds. The tert-butyl group enhances lipophilicity and metabolic resistance, making it particularly useful in lead optimization campaigns.

Synthesis

  • Route1

    References

    • Das, Shoubhik; Wendt, Bianca; Moeller, Konstanze; Junge, Kathrin; Beller, Matthias Angewandte Chemie - International Edition, 2012 , vol. 51, # 7 p. 1662 - 1666
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    • In-stock
      4-tert-Butylbenzylamine|CS-W010843
      39895-55-1

    References

    • Yraola, Francesc; Garcia-Vicente, Silvia; Fernandez-Recio, Juan; Albericio, Fernando; Zorzano, Antonio; Marti, Luc; Royo, Miriam Journal of Medicinal Chemistry, 2006 , vol. 49, # 21 p. 6197 - 6208
  • Route3
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      149879-57-2
    • ~%
    • In-stock
      4-tert-Butylbenzylamine|CS-W010843
      39895-55-1

    References

    • Baker; Nathan; Shoppee Journal of the Chemical Society, 1935 , p. 1847

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   2.4428
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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