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CS-W001157 4
Total: USD 88.00

Benzyl 3,3-difluorocyclobutanecarboxylate

  • CAS No. 935273-86-2

  • Cat. No. CS-D1528
  • Purity≥96%
  • MDL No.MFCD18909480

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

Benzyl 3,3-difluorocyclobutanecarboxylate|CS-D1528

Structure of 935273-86-2

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General Information

  • CAS No. 935273-86-2
  • Cat. No. CS-D1528
  • Purity ≥96%
  • MDL No. MFCD18909480
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₂F₂O₂
  • Molecular Weight 226.22
  • Synonym(s) 3,3-Difluorocyclobutanecarboxylic acid phenylmethyl ester
  • SMILES O=C(C1CC(F)(F)C1)OCC2=CC=CC=C2

Synthesis

  • Route1

    References

    • AGIOS PHARMACEUTICALS, INC.; Popovici-Muller, Janeta; SAUNDERS, Jeffrey, O.; SALITURO, Francesco, G.; CAI, Zhenwei; YAN, Shunqi; ZHOU, Ding Patent: WO2013/107405 A1, 2013 ; Location in patent: Page/Page column 42 ;
  • Route2

    References

    • US2013/190249 A1, ;
  • Route3
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    • Benzyl 3,3-difluorocyclobutanecarboxylate|CS-D1528
      935273-86-2

    References

    • WO2013/107291 A1, ;

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   2.7751
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   3

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