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CS-W001157 4
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Methyl 3-fluoro-2-thiophenecarboxylate

  • CAS No. 100421-52-1

  • Cat. No. CS-0033481
  • Purity≥95%
  • MDL No.None

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

Methyl 3-fluoro-2-thiophenecarboxylate|CS-0033481

Structure of 100421-52-1

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General Information

  • CAS No. 100421-52-1
  • Cat. No. CS-0033481
  • Purity ≥95%
  • MDL No. None
  • Storage 4°C, protect from light, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₆H₅FO₂S
  • Molecular Weight 160.17
  • Synonym(s) Methyl 3-fluorothiophene-2-carboxylate
  • SMILES O=C(C1=C(F)C=CS1)OC

Description

1,2-Dimethylimidazole is used in the synthesis of 1,2-dimethyl-3-n-butylimidazoliumchloride and 1,2-dimethyl-3-n-propylimidazolium chloride. It also can be used in the synthesis of 1-(2-methoxyethyl)-2,3-dimethylimidazolium chloride and hexafluorophosphate salts.

Application

Methyl 3-fluoro-2-thiophenecarboxylate serves as a versatile building block for heterocyclic synthesis, enabling efficient access to fluorinated thiophene scaffolds prevalent in medicinal chemistry. The ester group facilitates selective transformations, while the ortho-fluoro substituent enhances electrophilicity for palladium-catalyzed coupling reactions. Its bench-stable nature and compatibility with diverse functional groups support scalable synthesis workflows.

Synthesis

  • Route1

    References

    • Kiryanov, Andre A.; Seed, Alexander J.; Sampson, Paul Tetrahedron Letters, 2001 , vol. 42, # 50 p. 8797 - 8800

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-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   1.6738
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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