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5,6-Dimethoxybenzo[b]thiophene-2-carboxylic acid

  • CAS No. 23046-03-9

  • Cat. No. CS-0187086
  • Purity≥96%
  • MDL No.None

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

5,6-Dimethoxybenzo[b]thiophene-2-carboxylic acid|CS-0187086

Structure of 23046-03-9

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General Information

  • CAS No. 23046-03-9
  • Cat. No. CS-0187086
  • Purity ≥96%
  • MDL No. None
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₀O₄S
  • Molecular Weight 238.26
  • Synonym(s) 5,6-Dimethoxy-1-benzothiophene-2-carboxylic acid
  • SMILES COC1=C(C=C2C(=C1)C=C(C(=O)O)S2)OC

Description

5,6-Dimethoxybenzo[b]thiophene-2-carboxylic acid features a fused thiophene core with two methoxy groups at the 5 and 6 positions, enhancing electron density and solubility. The carboxylic acid functionality enables direct coupling in synthetic sequences, offering a robust scaffold for bioactive molecule design and materials applications.

Synthesis

  • Route1

    References

    • FIBROTECH THERAPEUTICS PTY LTD; WILLIAMS, Spencer John; ZAMMIT, Steven; KELLY, Darren James Patent: WO2011/47432 A1, 2011 ; Location in patent: Page/Page column 97 ;
  • Route2

    References

    • ACS Medicinal Chemistry Letters, , vol. 3, # 7 p. 550 - 554
  • Route3

    References

    • WO2011/47432 A1, ;

Safety Information

Download SDS
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-P280-P302+P352

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Computational Chemistry Data

  • TPSA   55.76
  • LogP   2.6167
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   3

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