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CS-W001157 4
Total: USD 88.00

1,3-Dimethyladamantane

  • CAS No. 702-79-4

  • Cat. No. CS-0152705
  • Purity≥98%
  • MDL No.MFCD00074755

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

1,3-Dimethyladamantane|CS-0152705

Structure of 702-79-4

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General Information

  • CAS No. 702-79-4
  • Cat. No. CS-0152705
  • Purity ≥98%
  • MDL No. MFCD00074755
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₂₀
  • Molecular Weight 164.29
  • Synonym(s) None
  • SMILES CC12CC3CC(C1)CC(C)(C3)C2

Description

1,3-Dimethyladamantane undergoes C-H insertion reaction with phenylchlorocarbene. It reacts with with molecular oxygen in the presence of N-hydroxyphthalimide combined with cobalt salts to yield 3,5-dimethyladamantan-1-ol and 5,7-dimethyladamantane-1,3-diol.1,3-Dimethyladamantane was used in the synthesis of 1,3-dibromo-5,7-dimethyladamantane.

Synthesis

  • Route1

    References

    • Kobayashi, Shoji; Kuroda, Hiroyuki; Ohtsuka, Yuta; Kashihara, Takashi; Masuyama, Araki; Watanabe, Kiyoshi Tetrahedron, 2013 , vol. 69, # 10 p. 2251 - 2259
  • Route2
    • Dodecahydroacenaphthylene|CS-0101063
      2146-36-3
    • ~91%
    • In-stock
      1,3-Dimethyladamantane|CS-0152705
      702-79-4

    References

    • Varushchenko; Pashchenko; Druzhinina; Abramenkov; Pimersin Journal of Chemical Thermodynamics, 2001 , vol. 33, # 7 p. 733 - 744
  • Route3

    References

    • US2013/225889 A1, ; Paragraph 0040 ;

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS02
Signal Word : Warning
UN#: 3295
Class : 3
Packing Group : Ⅲ
Hazard Statements : H226
Precautionary Statements : P210-P233-P240-P241-P242-P243-P280-P370+P378-P501

Quality Control

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Computational Chemistry Data

  • TPSA   0
  • LogP   3.6128
  • H_Acceptors   0
  • H_Donors   0
  • Rotatable_Bonds   0

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