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tert-Butyl 5-bromothiophene-2-carboxylate

  • CAS No. 62224-20-8

  • Cat. No. CS-0311411
  • Molecule weight263.15
  • Purity≥98%
  • MDL No.None

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

tert-Butyl 5-bromothiophene-2-carboxylate|CS-0311411

Structure of 62224-20-8

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General Information

  • CAS No. 62224-20-8
  • Cat. No. CS-0311411
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₁BrO₂S
  • Molecular Weight 263.15
  • Synonym(s) 2-Thiophenecarboxylic acid, 5-bromo-, 1,1-dimethylethyl ester
  • SMILES O=C(C1=CC=C(Br)S1)OC(C)(C)C

Synthesis

  • Route1

    References

    • Wright, Stephen W.; Hageman, David L.; Wright, Ann S.; McClure, Lester D. Tetrahedron Letters, 1997 , vol. 38, # 42 p. 7345 - 7348
  • Route2

    References

    • Pfizer Inc. Patent: US6344485 B1, 2002 ;
  • Route3

    References

    • Arredondo, Juan D.; Li, Hongmei; Balsells, Jaume Organic Syntheses, 2012 , vol. 89, p. 460 - 470

Safety Information

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

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   3.4659
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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