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CS-W001157 4
Total: USD 88.00

5,5-Dioxo-5H-dibenzo[b,d]thiophene-3,7-dicarboxylic acid

  • CAS No. 23613-32-3

  • Cat. No. CS-0110462
  • Purity≥95%
  • MDL No.MFCD00413883

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

5,5-Dioxo-5H-dibenzo[b,d]thiophene-3,7-dicarboxylic acid|CS-0110462

Structure of 23613-32-3

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General Information

  • CAS No. 23613-32-3
  • Cat. No. CS-0110462
  • Purity ≥95%
  • MDL No. MFCD00413883
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₈O₆S
  • Molecular Weight 304.27
  • Synonym(s) Dibenzothiophene-5,5'-dioxide-3,7-dicarboxylic acid
  • SMILES O=C(O)C=1C=CC=2C3=CC=C(C=C3S(=O)(=O)C2C1)C(=O)O

Description

1-Bromo-3-chlorobenzene undergoes bromine-magnesium exchange reactions with i-PrMgCl-LiCl in THF at 0°C and is strongly accelerated by electron-withdrawing substituents. It acts as test substrate to study the application of a new catalytic system for cyanation of various aryl halides using K4[Fe(CN)6] as cyanating source.

Application

5,5-Dioxo-5H-dibenzo[b,d]thiophene-3,7-dicarboxylic acid serves as a robust, bench-stable building block for heterocyclic synthesis, enabling efficient access to complex polycyclic scaffolds via standard condensation and cyclization protocols. Its dual carboxylic acid functionality facilitates straightforward derivatization and conjugation, while the electron-deficient dibenzothiophene core exhibits excellent functional group tolerance and structural rigidity—ideal for medicinal chemistry campaigns requiring defined molecular architecture and synthetic reproducibility.

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

Quality Control

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Computational Chemistry Data

  • TPSA   108.74
  • LogP   1.8962
  • H_Acceptors   4
  • H_Donors   2
  • Rotatable_Bonds   2

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