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CS-W001157 4
Total: USD 88.00

4-Isobutylaniline

  • CAS No. 30090-17-6

  • Cat. No. CS-0022456
  • Purity≥98%
  • MDL No.MFCD00130035

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

4-Isobutylaniline|CS-0022456

Structure of 30090-17-6

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General Information

  • CAS No. 30090-17-6
  • Cat. No. CS-0022456
  • Purity ≥98%
  • MDL No. MFCD00130035
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₅N
  • Molecular Weight None
  • Synonym(s) 4-(2-methylpropyl)aniline
  • SMILES NC1=CC=C(CC(C)C)C=C1

Description

4-Isobutylaniline features a para-substituted isobutyl group that imparts enhanced solubility and steric bulk, enabling efficient incorporation into aromatic amine-based scaffolds. This bench-stable derivative facilitates streamlined synthesis in pharmaceutical intermediates and functional materials development under standard conditions.

Application

4-Isobutylaniline serves as a valuable building block in medicinal chemistry and agrochemical synthesis, offering a readily accessible arylamine handle for subsequent functionalization. Its isobutyl substituent provides favorable lipophilicity and steric profile, enabling efficient incorporation into diverse heterocyclic scaffolds. The compound exhibits good bench stability and facilitates straightforward purification, making it well-suited for multi-step synthetic sequences involving coupling reactions, electrophilic substitutions, or reductive amination protocols.

Synthesis

  • Route1

    References

    • Hartmann; Batzl European Journal of Medicinal Chemistry, 1992 , vol. 27, # 5 p. 537 - 544
  • Route2
    • null|null
      538-93-2
    • ~%
    • In-stock
      4-Isobutylaniline|CS-0022456
      30090-17-6

    References

    • Journal of the American Chemical Society, , vol. 99, p. 50 - 59
  • Route3
    • N-Isobutylaniline|CS-0274343
      588-47-6
    • ~%
    • In-stock
      4-Isobutylaniline|CS-0022456
      30090-17-6

    References

    • Journal of the Chemical Society, , p. 1566,1569,1571

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   26.02
  • LogP   2.4673
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   2

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