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CS-W001157 4
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2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[b]thiophene-5-carbaldehyde

  • CAS No. 953410-99-6

  • Cat. No. CS-0199915
  • Purity≥95%
  • MDL No.MFCD07368240

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

2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[b]thiophene-5-carbaldehyde|CS-0199915

Structure of 953410-99-6

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General Information

  • CAS No. 953410-99-6
  • Cat. No. CS-0199915
  • Purity ≥95%
  • MDL No. MFCD07368240
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₁₇BO₃S
  • Molecular Weight 288.17
  • Synonym(s) 5-Formyl-2-(4,4,5,5-tetramethyl-[1,3,2]dioxaborolan-2-yl)-benzo[b]thiophene
  • SMILES CC1(C)C(C)(C)OB(C2=CC3=C(C=CC(=C3)C=O)S2)O1

Synthesis

  • Route1
    • 5-(Dibromomethyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[b]thiophene|CS-1271958
      1001200-46-9
    • ~89%
    • In-stock
      2-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[b]thiophene-5-carbaldehyde|CS-0199915
      953410-99-6

    References

    • Augustine, John Kallikat; Naik, Y. Arthoba; Mandal, Ashis Baran; Chowdappa, Nagaraja; Praveen, Vinuthan B. Tetrahedron, 2008 , vol. 64, # 4 p. 688 - 695

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-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P501

Quality Control

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Computational Chemistry Data

  • TPSA   35.53
  • LogP   3.013
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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