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CS-W001157 4
Total: USD 88.00

Methyl 5-acetylthiophene-2-carboxylate

  • CAS No. 4101-81-9

  • Cat. No. CS-0452257
  • Purity≥98%
  • MDL No.None

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

Methyl 5-acetylthiophene-2-carboxylate|CS-0452257

Structure of 4101-81-9

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General Information

  • CAS No. 4101-81-9
  • Cat. No. CS-0452257
  • Purity ≥98%
  • MDL No. None
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₈O₃S
  • Molecular Weight 184.21
  • Synonym(s) None
  • SMILES CC(=O)C1=CC=C(C(=O)OC)S1

Synthesis

  • Route1
    • In-stock
      5-Carboxy-2-acetylthiophene|CS-B1379
      4066-41-5
    • null|null
      74-88-4
    • ~80%
    • In-stock
      Methyl 5-acetylthiophene-2-carboxylate|CS-0452257
      4101-81-9

    References

    • BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. Patent: WO2005/79791 A1, 2005 ; Location in patent: Page/Page column 126-127 ; WO 2005/079791 A1
  • Route2
    • In-stock
      5-Carboxy-2-acetylthiophene|CS-B1379
      4066-41-5
    • null|null
      18107-18-1
    • ~97%
    • In-stock
      Methyl 5-acetylthiophene-2-carboxylate|CS-0452257
      4101-81-9

    References

    • Millennium Pharmaceuticals, Inc. Patent: US2011/213003 A1, 2011 ; Location in patent: Page/Page column 64 ; US 20110213003 A1
  • Route3
    • In-stock
      2-Acetylthiophene|CS-W020047
      88-15-3
    • null|null
      67-56-1
    • null|null
      56-23-5
    • ~82%
    • In-stock
      Methyl 5-acetylthiophene-2-carboxylate|CS-0452257
      4101-81-9

    References

    • Khusnutdinov; Shchadneva; Baiguzina; Mukminov; Mayakova; Smirnov; Dzhemilev Petroleum Chemistry, 2008 , vol. 48, # 6 p. 471 - 478

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   43.37
  • LogP   1.7373
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   2

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