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CS-W001157 4
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Cyclohept-1-en-1-yl trifluoromethanesulfonate

  • CAS No. 28075-51-6

  • Cat. No. CS-0962089
  • Molecule weight244.23
  • Purity≥95%
  • MDL No.MFCD18379775

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

Cyclohept-1-en-1-yl trifluoromethanesulfonate|CS-0962089

Structure of 28075-51-6

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General Information

  • CAS No. 28075-51-6
  • Cat. No. CS-0962089
  • Purity ≥95%
  • MDL No. MFCD18379775
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₁F₃O₃S
  • Molecular Weight 244.23
  • Synonym(s) None
  • SMILES O=S(=O)(OC1=CCCCCC1)C(F)(F)F

Description

Cyclohept-1-en-1-yl trifluoromethanesulfonate serves as a reactive electrophile in transition-metal-catalyzed coupling processes. The triflate group enables efficient C–C bond formation under mild conditions, while the strained cycloheptenyl framework enhances reactivity. This bench-stable reagent facilitates rapid access to functionalized carbocycles in synthetic and medicinal chemistry workflows.

Application

Cyclohept-1-en-1-yl trifluoromethanesulfonate serves as a stable, bench-ready allylic electrophile enabling efficient Pd-catalyzed cross-coupling reactions. Its triflate group facilitates rapid transmetalation and mild reaction conditions, supporting diverse C–C bond formations with aryl, vinyl, and alkyl boron reagents. The strained cycloheptenyl framework provides access to fused polycyclic systems relevant in natural product synthesis and medicinal chemistry scaffolds.

Safety Information

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GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 3265
Class : 8
Packing Group : Ⅱ
Hazard Statements : H290-H314
Precautionary Statements : P234-P260-P264-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P363-P390-P405-P406-P501

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Computational Chemistry Data

  • TPSA   43.37
  • LogP   2.7006
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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