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CS-W001157 4
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(R)-2-(2-(tert-Butoxy)-2-oxoethyl)hexanoic acid

  • CAS No. 200866-61-1

  • Cat. No. CS-0133932
  • Molecule weight230.30
  • Purity≥98%
  • MDL No.None

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

(R)-2-(2-(tert-Butoxy)-2-oxoethyl)hexanoic acid|CS-0133932

Structure of 200866-61-1

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General Information

  • CAS No. 200866-61-1
  • Cat. No. CS-0133932
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₂₂O₄
  • Molecular Weight 230.30
  • Synonym(s) (R)-(+)-2-Butylbutanedioic acid 4-tert-butyl ester
  • SMILES O=C(O)[C@H](CCCC)CC(OC(C)(C)C)=O

Synthesis

  • Route1
    • null|null
      200866-59-7
    • ~76%
    • (R)-2-(2-(tert-Butoxy)-2-oxoethyl)hexanoic acid|CS-0133932
      200866-61-1

    References

    • Levy, Daniel E.; Lapierre, France; Liang, Weisheng; Ye, Wenqing; Lange, Christopher W.; Li, Xiaoyuan; Grobelny, Damian; Casabonne, Marie; Tyrrell, David; Holme, Kevin; Nadzan, Alex; Galardy, Richard E. Journal of Medicinal Chemistry, 1998 , vol. 41, # 2 p. 199 - 223
  • Route2
    • null|null
      142-61-0
    • ~%
    • (R)-2-(2-(tert-Butoxy)-2-oxoethyl)hexanoic acid|CS-0133932
      200866-61-1

    References

    • Levy, Daniel E.; Lapierre, France; Liang, Weisheng; Ye, Wenqing; Lange, Christopher W.; Li, Xiaoyuan; Grobelny, Damian; Casabonne, Marie; Tyrrell, David; Holme, Kevin; Nadzan, Alex; Galardy, Richard E. Journal of Medicinal Chemistry, 1998 , vol. 41, # 2 p. 199 - 223
  • Route3
    • null|null
      143965-32-6
    • ~%
    • (R)-2-(2-(tert-Butoxy)-2-oxoethyl)hexanoic acid|CS-0133932
      200866-61-1

    References

    • Levy, Daniel E.; Lapierre, France; Liang, Weisheng; Ye, Wenqing; Lange, Christopher W.; Li, Xiaoyuan; Grobelny, Damian; Casabonne, Marie; Tyrrell, David; Holme, Kevin; Nadzan, Alex; Galardy, Richard E. Journal of Medicinal Chemistry, 1998 , vol. 41, # 2 p. 199 - 223

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   63.6
  • LogP   2.6092
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   6

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