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CS-W001157 4
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Methyl 4-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalene-2-carbonyl)benzoate

  • CAS No. 153559-45-6

  • Cat. No. CS-0188157
  • Molecule weight364.48
  • Purity≥95%
  • MDL No.None

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

Methyl 4-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydronaphthalene-2-carbonyl)benzoate|CS-0188157

Structure of 153559-45-6

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General Information

  • CAS No. 153559-45-6
  • Cat. No. CS-0188157
  • Purity ≥95%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₂₄H₂₈O₃
  • Molecular Weight 364.48
  • Synonym(s) Desmethylene Oxo-bexarotene Methyl Ester
  • SMILES CC1=CC2=C(C=C1C(=O)C3=CC=C(C=C3)C(=O)OC)C(C)(C)CCC2(C)C

Synthesis

  • Route1

    References

    • ARIZONA BOARD OF REGENTS, A BODY CORPORATE OF THE STATE OF ARIZONA, ACTING FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY; WAGNER, Carl E.; JURUTKA, Peter W.; MARSHALL, Pamela A.; VAN DER VAART, Arjan Patent: WO2011/103321 A1, 2011 ; Location in patent: Page/Page column 19 ;
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    References

    • WO2011/141928 A1, ; Page/Page column 18-19 ;
  • Route3

    References

    • Journal of Organic Chemistry, , vol. 66, # 17 p. 5772 - 5782

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-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   43.37
  • LogP   5.36162
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   3

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