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CS-W001157 4
Total: USD 88.00

4-tert-Butylbenzamide

  • CAS No. 56108-12-4

  • Cat. No. CS-0154904
  • Purity≥98%
  • MDL No.MFCD00017139

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

4-tert-Butylbenzamide|CS-0154904

Structure of 56108-12-4

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General Information

  • CAS No. 56108-12-4
  • Cat. No. CS-0154904
  • Purity ≥98%
  • MDL No. MFCD00017139
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₅NO
  • Molecular Weight 177.24
  • Synonym(s) 4-(TERT-BUTYL)BENZENECARBOXAMIDE
  • SMILES CC(C)(C)C1=CC=C(C=C1)C(=O)N

Description

4-tert-Butylbenzamide features a sterically hindered tert-butyl group that enhances stability and modulates solubility. This aromatic amide integrates readily into synthetic scaffolds requiring electron-donating, bulky substituents. The para-substitution pattern ensures predictable reactivity in coupling processes and facilitates purification through crystallization.

Application

4-tert-Butylbenzamide serves as a versatile building block in medicinal chemistry, offering a robust aromatic amide scaffold with enhanced lipophilicity and metabolic stability. Its tert-butyl group provides steric bulk and improved solubility characteristics, while the amide functionality enables reliable coupling reactions and hydrogen bonding interactions. The compound exhibits excellent bench stability and compatibility with standard synthetic transformations, facilitating efficient incorporation into diverse heterocyclic systems and API candidates.

Synthesis

  • Route1
    • In-stock
      1-Bromo-4-tert-butylbenzene|CS-W008710
      3972-65-4
    • null|null
      201230-82-2
    • ~93%
    • In-stock
      4-tert-Butylbenzamide|CS-0154904
      56108-12-4

    References

    • Wu, Xiao-Feng; Neumann, Helfried; Beller, Matthias Chemistry - A European Journal, 2010 , vol. 16, # 32 p. 9750 - 9753
  • Route2

    References

    • Song, Qiuling; Feng, Qiang; Yang, Kai Organic Letters, 2014 , vol. 16, # 2 p. 624 - 627
  • Route3
    • null|null
      180261-48-7
    • ~83%
    • In-stock
      4-tert-Butylbenzamide|CS-0154904
      56108-12-4

    References

    • Sun, Chunlou; Qu, Panpan; Li, Feng Catalysis Science and Technology, 2014 , vol. 4, # 4 p. 988 - 996

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-H319
Precautionary Statements : P264-P270-P280-P301+P310-P305+P351+P338-P330-P337+P313-P501

Quality Control

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Computational Chemistry Data

  • TPSA   43.09
  • LogP   2.083
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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