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CS-W001157 4
Total: USD 88.00

2-Methyl-5-propan-2-ylaniline

  • CAS No. 2051-53-8

  • Cat. No. CS-0038690
  • Purity≥98%
  • MDL No.None

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

2-Methyl-5-propan-2-ylaniline|CS-0038690

Structure of 2051-53-8

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General Information

  • CAS No. 2051-53-8
  • Cat. No. CS-0038690
  • Purity ≥98%
  • MDL No. None
  • Storage RT, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₅N
  • Molecular Weight 149.23
  • Synonym(s) 5-Isopropyl-o-toluidine
  • SMILES CC(C)C1=CC(=C(C)C=C1)N

Description

2-Methyl-5-propan-2-ylaniline features a sterically hindered aryl amine structure with enhanced stability and improved solubility in organic solvents. This electron-rich aniline derivative facilitates efficient coupling reactions and serves as a key intermediate in the synthesis of functionalized dyes, agrochemicals, and advanced pharmaceuticals under standard conditions.

Application

2-Methyl-5-propan-2-ylaniline serves as a valuable building block in the synthesis of functionalized aromatic scaffolds, particularly for pharmaceutical and agrochemical intermediates. Its tertiary alkyl substituent enhances lipophilicity and metabolic stability, while the primary amine enables straightforward derivatization via acylation, alkylation, or diazotization. The molecule exhibits good bench stability and facilitates efficient coupling reactions, making it well-suited for modular synthetic strategies in medicinal chemistry and process development.

Synthesis

  • Route1

    References

    • Holmes, Keith D.; Underwood, A. L. Journal of Chemical and Engineering Data, 1982 , vol. 27, # 4 p. 470 - 472
  • Route2
    • In-stock
      4-Isopropyl-1-methyl-2-nitrobenzene|CS-W017273
      943-15-7
    • ~0%
    • In-stock
      2-Methyl-5-propan-2-ylaniline|CS-0038690
      2051-53-8
    • null|null
      51556-93-5

    References

    • Holmes, Keith D.; Underwood, A. L. Journal of Chemical and Engineering Data, 1982 , vol. 27, # 4 p. 470 - 472
  • Route3
    • null|null
      63843-07-2
    • ~%
    • In-stock
      2-Methyl-5-propan-2-ylaniline|CS-0038690
      2051-53-8

    References

    • Chemische Berichte, , vol. 28, p. 1660

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

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Computational Chemistry Data

  • TPSA   26.02
  • LogP   2.70062
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   1

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