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CS-W001157 4
Total: USD 88.00

5-(Tert-butyl)thiophene-2-carboxylic acid

  • CAS No. 29212-25-7

  • Cat. No. CS-0062487
  • Purity≥97%
  • MDL No.MFCD05664198

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

5-(Tert-butyl)thiophene-2-carboxylic acid|CS-0062487

Structure of 29212-25-7

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General Information

  • CAS No. 29212-25-7
  • Cat. No. CS-0062487
  • Purity ≥97%
  • MDL No. MFCD05664198
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₂O₂S
  • Molecular Weight 184.26
  • Synonym(s) None
  • SMILES O=C(C1=CC=C(C(C)(C)C)S1)O

Synthesis

  • Route1
    • Methyl 5-(tert-butyl)thiophene-2-carboxylate|CS-0582392
      229003-19-4
    • ~75%
    • In-stock
      5-(Tert-butyl)thiophene-2-carboxylic acid|CS-0062487
      29212-25-7

    References

    • Dumas, Jacques; Khire, Uday; Lowinger, Timothy B.; Paulsen, Holger; Riedl, Bernd; Scott, William J.; Smith, Roger A.; Wood, Jill; Hatoum-Mokdad, Holia; Lee, Wendy; Redman, Aniko; Johnson, Jeffrey; Sibley, Robert Patent: US2012/46290 A1, 2012 ; Location in patent: Page/Page column 28 ; US 20120046290 A1
  • Route2
    • In-stock
      Rivaroxaban impurity 50|CS-W020070
      527-72-0
    • null|null
      507-19-7
    • ~47%
    • In-stock
      5-(Tert-butyl)thiophene-2-carboxylic acid|CS-0062487
      29212-25-7

    References

    • Michaelides, Michael R.; Hong, Yufeng; DiDomenico Jr., Stanley; Bayburt, Erol K.; Asin, Karen E.; Britton, Donald R.; Lin, Chun Wel; Shiosaki, Kazumi Journal of Medicinal Chemistry, 1997 , vol. 40, # 11 p. 1585 - 1599
  • Route3
    • 2-tert-Butylthiophene|CS-0066781
      1689-78-7
    • ~%
    • In-stock
      5-(Tert-butyl)thiophene-2-carboxylic acid|CS-0062487
      29212-25-7

    References

    • Hartough; Conley Journal of the American Chemical Society, 1947 , vol. 69, p. 3096

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS05
Signal Word : Danger
UN#: 3261
Class : 8
Packing Group : Ⅲ
Hazard Statements : H314
Precautionary Statements : P260-P264-P280-P301+P330+P331-P304+P340-P363-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   2.7438
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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