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CS-W001157 4
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Dimethyl (S)-2-phenylcyclopropane-1,1-dicarboxylate

  • CAS No. 158800-60-3

  • Cat. No. CS-0495676
  • Molecule weight234.25
  • Purity≥98%
  • MDL No.None

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

Dimethyl (S)-2-phenylcyclopropane-1,1-dicarboxylate|CS-0495676

Structure of 158800-60-3

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General Information

  • CAS No. 158800-60-3
  • Cat. No. CS-0495676
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₄O₄
  • Molecular Weight 234.25
  • Synonym(s) dimethyl (2S)-2-phenylcyclopropane-1,1-dicarboxylate
  • SMILES COC(=O)C1(C[C@H]1C1=CC=CC=C1)C(=O)OC

Synthesis

  • Route1
    • null|null
      77-78-1
    • null|null
      180322-77-4
    • ~95%
    • Dimethyl (S)-2-phenylcyclopropane-1,1-dicarboxylate|CS-0495676
      158800-60-3

    References

    • PRESIDENT AND FELLOWS OF HARVARD COLLEGE; RITTER, Tobias; FURUYA, Takeru; TANG, Pingping Patent: WO2010/59943 A2, 2010 ; Location in patent: Page/Page column 77 ;
  • Route2
    • null|null
      292638-84-7
    • null|null
      145838-86-4
    • ~84%
    • Dimethyl (S)-2-phenylcyclopropane-1,1-dicarboxylate|CS-0495676
      158800-60-3

    References

    • Deng, Chao; Wang, Li-Jia; Zhu, Jun; Tang, Yong Angewandte Chemie, International Edition, 2012 , vol. 51, # 46 p. 11620 - 11623,4 Angewandte Chemie, 2012 , vol. 124, # 46 p. 11788 - 11791,4 Title/Abstract Full Text Show Details Deng, Chao; Wang, Li-Jia; Zhu, Jun; Tang, Yong Angewandte Chemie - International Edition, 2012 , vol. 51, # 46 p. 11620 - 11623 Angew. Chem., 2012 , vol. 124, # 46 p. 11788 - 11791,4
  • Route3
    • null|null
      1034147-49-3
    • null|null
      74-88-4
    • ~85%
    • Dimethyl (S)-2-phenylcyclopropane-1,1-dicarboxylate|CS-0495676
      158800-60-3

    References

    • Pohlhaus, Patrick D.; Sanders, Shanina D.; Parsons, Andrew T.; Li, Wei; Johnson, Jeffrey S. Journal of the American Chemical Society, 2008 , vol. 130, # 27 p. 8642 - 8650

Safety Information

Download SDS
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

Quality Control

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Computational Chemistry Data

  • TPSA   52.6
  • LogP   1.5063
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   3

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