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CS-W001157 4
Total: USD 88.00

Methyl cyclooctanecarboxylate

  • CAS No. 3724-54-7

  • Cat. No. CS-0581401
  • Purity≥98%
  • MDL No.None

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

Methyl cyclooctanecarboxylate|CS-0581401

Structure of 3724-54-7

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General Information

  • CAS No. 3724-54-7
  • Cat. No. CS-0581401
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₈O₂
  • Molecular Weight 170.25
  • Synonym(s) Methyl-cyclooctan-carboxylat
  • SMILES COC(=O)C1CCCCCCC1

Synthesis

  • Route1
    • null|null
      67-56-1
    • null|null
      6688-11-5
    • ~%
    • Methyl cyclooctanecarboxylate|CS-0581401
      3724-54-7

    References

    • AbbVie Inc.; WANG, LE; Doherty, George; Wang, Xilu; Tao, Zhi-Fu; Bruncko, Milan; Kunzer, Aaron R.; Wendt, Michael D.; Song, Xiaohong; Frey, Robin; Hansen, Todd M.; Sullivan, Gerard M.; Judd, Andrew; Souers, Andrew Patent: US2013/96120 A1, 2013 ; Location in patent: Paragraph 1034 ;
  • Route2
    • null|null
      931-88-4
    • ~%
    • null|null
      292-64-8
    • In-stock
      Cyclooctylmethanol|CS-0072541
      3637-63-6
    • Methyl cyclooctanecarboxylate|CS-0581401
      3724-54-7
    • null|null
      6688-11-5

    References

    • Okano, Tamon; Kobayashi, Teruyuki; Konishi, Hisatoshi; Kiji, Jitsuo Tetrahedron Letters, 1982 , vol. 23, # 47 p. 4967 - 4968
  • Route3
    • null|null
      292-64-8
    • null|null
      64-19-7
    • ~%
    • In-stock
      Cyclooctanone|CS-W007564
      502-49-8
    • Cyclooctanol|CS-0204887
      696-71-9
    • Methyl cyclooctanecarboxylate|CS-0581401
      3724-54-7

    References

    • Mohapatra, Susanta K.; Selvam, Parasuraman Chemistry Letters, 2004 , vol. 33, # 2 p. 198 - 199

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

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   2.5199
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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