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CS-W001157 4
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Benzene-1,3,5-triyl triformate

  • CAS No. 1957190-76-9

  • Cat. No. CS-0182977
  • Purity≥96%
  • MDL No.MFCD31692238

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

Benzene-1,3,5-triyl triformate|CS-0182977

Structure of 1957190-76-9

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General Information

  • CAS No. 1957190-76-9
  • Cat. No. CS-0182977
  • Purity ≥96%
  • MDL No. MFCD31692238
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₆O₆
  • Molecular Weight None
  • Synonym(s) 1,3,5-Benzenetriol, 1,3,5-triformate
  • SMILES O=COC1=CC(OC=O)=CC(OC=O)=C1

Description

Benzene-1,3,5-triyl triformate features three formate groups positioned at the 1,3,5-tribenzenoid sites, delivering a highly electron-deficient aromatic core. This trifunctional reagent serves as a potent electrophilic transfer agent in C–H functionalization and formylation processes under mild conditions. The molecule exhibits excellent stability in ambient storage and compatibility with diverse reaction media, enabling efficient incorporation into complex synthetic sequences.

Application

Benzene-1,3,5-triyl triformate serves as a versatile triformylating agent in aromatic functionalization, enabling the efficient introduction of formyl groups at high regioselectivity. Its bench-stable nature and compatibility with standard synthetic workflows facilitate downstream transformations such as reductive amination or formyl-directed cyclizations. Functions effectively as a building block for heterocyclic scaffolds and conjugated systems in medicinal chemistry and materials synthesis.

Safety Information

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Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   78.9
  • LogP   0.2922
  • H_Acceptors   6
  • H_Donors   0
  • Rotatable_Bonds   6

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