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CS-W001157 4
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4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonyl fluoride

  • CAS No. 1337505-77-7

  • Cat. No. CS-0134100
  • Molecule weight286.13
  • Purity≥97%
  • MDL No.MFCD30486583

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

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonyl fluoride|CS-0134100

Structure of 1337505-77-7

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General Information

  • CAS No. 1337505-77-7
  • Cat. No. CS-0134100
  • Purity ≥97%
  • MDL No. MFCD30486583
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₆BFO₄S
  • Molecular Weight 286.13
  • Synonym(s) 4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)benzene-1-sulfonyl fluoride
  • SMILES O=S(C1=CC=C(B2OC(C)(C)C(C)(C)O2)C=C1)(F)=O

Description

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonyl fluoride features a boronate handle paired with a sulfonyl fluoride group, enabling efficient Suzuki-Miyaura coupling and selective functionalization. This bench-stable reagent integrates seamlessly into complex molecule assembly workflows.

Application

4-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzenesulfonyl fluoride serves as a stable, bench-ready boronate building block for Suzuki-Miyaura cross-coupling reactions. Its sulfonyl fluoride group enables direct functionalization and facilitates downstream transformations, including nucleophilic displacement and heterocycle formation. The tetramethylboronate moiety offers excellent stability, mild reaction conditions, and high tolerance to diverse functional groups, making it ideal for late-stage modification in medicinal chemistry and process-scale synthesis.

Safety Information

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GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 1759
Class : 8
Packing Group : Ⅲ
Hazard Statements : H314-H335
Precautionary Statements : P260-P264-P271-P280-P301+P330+P331-P304+P340-P363-P405-P501

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Computational Chemistry Data

  • TPSA   52.6
  • LogP   1.644
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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