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CS-W001157 4
Total: USD 88.00

(1R,4S)-4,7,7-Trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylicacid

  • CAS No. 67111-66-4

  • Cat. No. CS-0172030
  • Purity≥95%
  • MDL No.None

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

(1R,4S)-4,7,7-Trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylicacid|CS-0172030

Structure of 67111-66-4

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General Information

  • CAS No. 67111-66-4
  • Cat. No. CS-0172030
  • Purity ≥95%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₄O₄
  • Molecular Weight 198.22
  • Synonym(s) (1R)-(+)-Camphanic acid
  • SMILES CC1(C)[C@]2(C)CC[C@@]1(C(=O)O)OC2=O

Synthesis

  • Route1
    • null|null
      432036-82-3
    • ~0%
    • null|null
      432036-83-4
    • (1R,4S)-4,7,7-Trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylicacid|CS-0172030
      67111-66-4

    References

    • Ohigashi, Atsushi; Kanda, Atsushi; Moriki, Shigeru; Baba, Yukihisa; Hashimoto, Norio; Okada, Minoru Organic Process Research and Development, 2013 , vol. 17, # 4 p. 658 - 665
  • Route2
    • (1R,3S)-1,2,2-Trimethylcyclopentane-1,3-dicarboxylic acid Levocarnitine  Impurity|CS-0229471
      124-83-4
    • ~40%
    • (1R,4S)-4,7,7-Trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylicacid|CS-0172030
      67111-66-4

    References

    • Ohigashi, Atsushi; Kanda, Atsushi; Moriki, Shigeru; Baba, Yukihisa; Hashimoto, Norio; Okada, Minoru Organic Process Research and Development, 2013 , vol. 17, # 4 p. 658 - 665
  • Route3
    • null|null
      10333-96-7
    • ~65%
    • (1R,4S)-4,7,7-Trimethyl-3-oxo-2-oxabicyclo[2.2.1]heptane-1-carboxylicacid|CS-0172030
      67111-66-4

    References

    • Kappes, Dag; Gerlach, Hans Synthetic Communications, 1990 , vol. 20, # 4 p. 581 - 587

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

Quality Control

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Computational Chemistry Data

  • TPSA   63.6
  • LogP   1.1929
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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