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CS-W001157 4
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Methyl 1-methyl-2-oxocyclohexane-1-carboxylate

  • CAS No. 7500-91-6

  • Cat. No. CS-0524139
  • Molecule weight170.21
  • Purity≥98%
  • MDL No.None

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

Methyl 1-methyl-2-oxocyclohexane-1-carboxylate|CS-0524139

Structure of 7500-91-6

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General Information

  • CAS No. 7500-91-6
  • Cat. No. CS-0524139
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₄O₃
  • Molecular Weight 170.21
  • Synonym(s) methyl 1-methyl-2-oxocyclohexanecarboxylate
  • SMILES O=C(C1(C)C(CCCC1)=O)OC

Synthesis

  • Route1

    References

    • Umemura, Kazuyuki; Matsuyama,Haruo; Watanabe, Nobuko; Kobayashi, Michio; Kamigata, Nobumasa Journal of Organic Chemistry, 1989 , vol. 54, # 10 p. 2374 - 2383
  • Route2
    • null|null
      112818-12-9
    • ~15%
    • Methyl 1-methyl-2-oxocyclohexane-1-carboxylate|CS-0524139
      7500-91-6
    • 3-Oxo-cycloheptanecarboxylic acid methyl ester|CS-0340967
      37746-13-7

    References

    • Beckwith,A.L.; O'Shea,D.M.; Westwood,S.W. Journal of the American Chemical Society, 1988 , vol. 110, p. 2565
  • Route3

    References

    • Lee, Junning; Snyder, John K. Journal of Organic Chemistry, 1990 , vol. 55, # 17 p. 4995 - 5008

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   1.3088
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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