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Methyl 6-fluorobenzo[b]thiophene-2-carboxylate

  • CAS No. 550998-52-2

  • Cat. No. CS-0102226
  • Molecule weight210.22
  • Purity≥97%
  • MDL No.MFCD11044557

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

Methyl 6-fluorobenzo[b]thiophene-2-carboxylate|CS-0102226

Structure of 550998-52-2

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General Information

  • CAS No. 550998-52-2
  • Cat. No. CS-0102226
  • Purity ≥97%
  • MDL No. MFCD11044557
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₇FO₂S
  • Molecular Weight 210.22
  • Synonym(s) 6-FLUORO-BENZO[B]THIOPHENE-2-CARBOXYLIC ACID METHYL ESTER
  • SMILES O=C(C1=CC2=CC=C(F)C=C2S1)OC

Description

Methyl 6-fluorobenzo[b]thiophene-2-carboxylate features a fluorinated benzo[b]thiophene core with a methyl ester at the 2-position, offering enhanced electron-withdrawing character and improved solubility in organic media. This scaffold serves as a key building block for bioactive heterocycles and pharmaceutical intermediates, particularly in kinase inhibitor development.

Application

Methyl 6-fluorobenzo[b]thiophene-2-carboxylate serves as a versatile building block in the synthesis of biologically active heterocycles, leveraging the electron-withdrawing fluorine substituent to modulate reactivity and metabolic stability. The ester functionality enables straightforward derivatization via hydrolysis or nucleophilic substitution, while the benzo[b]thiophene core provides a rigid, planar scaffold suitable for pharmaceutical and materials applications. Bench-stable and compatible with standard coupling reactions, it facilitates efficient access to advanced intermediates in medicinal chemistry and process development workflows.

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-P280-P302+P352

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   2.827
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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