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Methyl 3,3-diMethylcyclobutane-1-carboxylate

  • CAS No. 3854-83-9

  • Cat. No. CS-0049137
  • Molecule weight142.20
  • Purity98+%
  • MDL No.None

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

Methyl 3,3-diMethylcyclobutane-1-carboxylate|CS-0049137

Structure of 3854-83-9

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General Information

  • CAS No. 3854-83-9
  • Cat. No. CS-0049137
  • Purity 98+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₄O₂
  • Molecular Weight 142.20
  • Synonym(s) Cyclobutanecarboxylic acid, 3,3-diMethyl-, Methyl ester
  • SMILES COC(=O)C1CC(C)(C)C1

Synthesis

  • Route1

    References

    • BOEHRINGER INGELHEIM INTERNATIONAL GMBH Patent: US2011/212960 A1, 2011 ; Location in patent: Page/Page column 32-33 ;
  • Route2
    • Methyl 3,3-dimethylcyclobut-1-ene-1-carboxylate|CS-0183546
      37676-91-8
    • ~%
    • Methyl 3,3-diMethylcyclobutane-1-carboxylate|CS-0049137
      3854-83-9

    References

    • Weintraub,L. et al. Journal of the American Chemical Society, 1964 , vol. 86, p. 4880 - 4885
  • Route3
    • null|null
      91-66-7
    • ~%
    • Methyl 3,3-diMethylcyclobutane-1-carboxylate|CS-0049137
      3854-83-9

    References

    • Owen; Ramage; Simonsen Journal of the Chemical Society, 1938 , p. 1211,1213

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
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   1.5956
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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