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CS-W001157 4
Total: USD 88.00

4-Acetyl-6-tert-butyl-1,1-dimethylindan

  • CAS No. 13171-00-1

  • Cat. No. CS-0155127
  • Purity≥97%
  • MDL No.MFCD00046324

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

4-Acetyl-6-tert-butyl-1,1-dimethylindan|CS-0155127

Structure of 13171-00-1

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General Information

  • CAS No. 13171-00-1
  • Cat. No. CS-0155127
  • Purity ≥97%
  • MDL No. MFCD00046324
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₇H₂₄O
  • Molecular Weight 244.37
  • Synonym(s) Celestolide
  • SMILES CC(=O)C1=C2CCC(C)(C)C2=CC(=C1)C(C)(C)C

Synthesis

  • Route1
    • null|null
      3605-31-0
    • null|null
      75-36-5
    • ~60%
    • In-stock
      4-Acetyl-6-tert-butyl-1,1-dimethylindan|CS-0155127
      13171-00-1

    References

    • Farmer, Luc J.; Marron, Kristen S.; Canan Koch, Stacie S.; Hwang; Kallel, E. Adam; Zhi, Lin; Nadzan, Alex M.; Robertson, Dave W.; Bennani, Youssef L. Bioorganic and Medicinal Chemistry Letters, 2006 , vol. 16, # 9 p. 2352 - 2356
  • Route2
    • null|null
      3605-31-0
    • null|null
      75-36-5
    • ~51%
    • null|null
      102296-26-4
    • In-stock
      4-Acetyl-6-tert-butyl-1,1-dimethylindan|CS-0155127
      13171-00-1
    • null|null
      102296-45-7
    • 1-(1,1-Dimethyl-2,3-dihydro-1H-inden-5-yl)ethanone|CS-1224337
      102296-44-6

    References

    • Smirnova, O. B.; Cherkaev, G. V.; Shekhtman, N. M. Journal of Organic Chemistry USSR (English Translation), 1991 , vol. 27, # 11.2 p. 2123 - 2127 Zhurnal Organicheskoi Khimii, 1991 , vol. 27, # 11 p. 2391 - 2395
  • Route3
    • null|null
      78-79-5
    • ~%
    • In-stock
      4-Acetyl-6-tert-butyl-1,1-dimethylindan|CS-0155127
      13171-00-1

    References

    • Bioorganic and Medicinal Chemistry Letters, , vol. 16, # 9 p. 2352 - 2356

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   17.07
  • LogP   4.4105
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   1

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