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CS-W001157 4
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(1S,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]Heptane-1-carboxamide

  • CAS No. 54200-37-2

  • Cat. No. CS-0465799
  • Purity≥98%
  • MDL No.MFCD05662685

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

(1S,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]Heptane-1-carboxamide|CS-0465799

Structure of 54200-37-2

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General Information

  • CAS No. 54200-37-2
  • Cat. No. CS-0465799
  • Purity ≥98%
  • MDL No. MFCD05662685
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₅NO₃
  • Molecular Weight 197.23
  • Synonym(s) 2-oxabicyclo[2.2.1]heptane-1-carboxamide, 4,7,7-trimethyl-3-oxo-, (1S,4R)-
  • SMILES CC1([C@]2(CC[C@@]1(OC2=O)C(N)=O)C)C

Synthesis

  • Route1
    • null|null
      112924-25-1
    • ~%
    • (1S,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]Heptane-1-carboxamide|CS-0465799
      54200-37-2

    References

    • Chemische Berichte, , vol. 26, p. 1528
  • Route2
    • null|null
      871882-83-6
    • ~%
    • (1S,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]Heptane-1-carboxamide|CS-0465799
      54200-37-2

    References

    • Chemische Berichte, , vol. 45, p. 1552
  • Route3
    • null|null
      54200-41-8
    • ~%
    • (1S,4R)-4,7,7-trimethyl-3-oxo-2-oxabicyclo[2.2.1]Heptane-1-carboxamide|CS-0465799
      54200-37-2

    References

    • Chemische Berichte, , vol. 45, p. 1421

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   69.39
  • LogP   0.5936
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   1

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