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CS-W001157 4
Total: USD 88.00

5-(Tert-butyl)-2-methylaniline

  • CAS No. 85336-17-0

  • Cat. No. CS-0456259
  • Purity≥98%
  • MDL No.None

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

5-(Tert-butyl)-2-methylaniline|CS-0456259

Structure of 85336-17-0

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General Information

  • CAS No. 85336-17-0
  • Cat. No. CS-0456259
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₇N
  • Molecular Weight 163.26
  • Synonym(s) 5-Tert-butyl-2-methylaniline
  • SMILES CC1=C(C=C(C=C1)C(C)(C)C)N

Synthesis

  • Route1
    • 4-tert-Butyl-1-methyl-2-nitrobenzene|CS-0205564
      62559-08-4
    • ~10%
    • 5-(Tert-butyl)-2-methylaniline|CS-0456259
      85336-17-0

    References

    • PARADIGM THERAPEUTICS LTD. Patent: WO2007/582 A1, 2007 ; Location in patent: Page/Page column 35; 49-50 ; WO 2007/000582 A1
  • Route2

    References

    • Boehringer Ingelheim Pharmaceuticals, Inc. Patent: US6492393 B1, 2002 ;
  • Route3

    References

    • Vara Prasad; Markoski, Larry J.; Boyer, Fred E.; Domagala, John M.; Ellsworth, Edmund L.; Gajda, Christopher; Hagen, Susan E.; Tait, Bradley D.; Lunney, Elizabeth A.; Tummino, Peter J.; Ferguson, Donna; Holler, Tod; Hupe, Donald; Nouhan, Carolyn; Gracheck, Stephen J.; VanderRoest, Steven; Saunders, James; Iyer; Sinz Bioorganic and Medicinal Chemistry Letters, 1999 , vol. 9, # 15 p. 2217 - 2222

Safety Information

Download SDS
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   2.87472
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   0

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