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CS-W001157 4
Total: USD 88.00

Bpin-Cyclohexene-C-COOEt

  • CAS No. 1166829-70-4

  • Cat. No. CS-0055778
  • Purity≥97%
  • MDL No.MFCD18383324

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

Bpin-Cyclohexene-C-COOEt|CS-0055778

Structure of 1166829-70-4

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General Information

  • CAS No. 1166829-70-4
  • Cat. No. CS-0055778
  • Purity ≥97%
  • MDL No. MFCD18383324
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₆H₂₇BO₄
  • Molecular Weight 294.19
  • Synonym(s) Ethyl-2-(4-(4,4,5,5-tetraMethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3- enyl)acetate
  • SMILES O=C(OCC)CC1CC=C(B2OC(C)(C)C(C)(C)O2)CC1

Description

Bpin-Cyclohexene-C-COOEt features a cyclohexene ring bearing a boronate ester and ethyl ester group in close proximity, enabling efficient coupling reactions. This bifunctional scaffold integrates seamlessly into transition-metal-catalyzed transformations, delivering access to complex cyclic architectures under mild conditions.

Application

Bpin-Cyclohexene-C-COOEt serves as a versatile boron-containing building block for palladium-catalyzed cross-coupling reactions, enabling efficient C–C bond formation under mild conditions. The cyclohexenyl framework provides structural rigidity and facilitates downstream functionalization, while the ester group offers a handle for selective derivatization. Bench-stable and compatible with diverse functional groups, it functions effectively in synthetic sequences targeting complex heterocycles and bioactive scaffolds.

Safety Information

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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

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Computational Chemistry Data

  • TPSA   44.76
  • LogP   3.2975
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   4

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