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CS-W001157 4
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Methyl 2-methylthiophene-3-carboxylate

  • CAS No. 53562-51-9

  • Cat. No. CS-W022811
  • Purity≥98%
  • MDL No.MFCD12026360

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

Methyl 2-methylthiophene-3-carboxylate|CS-W022811

Structure of 53562-51-9

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General Information

  • CAS No. 53562-51-9
  • Cat. No. CS-W022811
  • Purity ≥98%
  • MDL No. MFCD12026360
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₈O₂S
  • Molecular Weight 156.20
  • Synonym(s) 3-thiophenecarboxylic acid, 2-methyl-, methyl ester
  • SMILES CC1=C(C=CS1)C(=O)OC

Synthesis

  • Route1
    • p-Dithiane-2,5-diol|CS-W018087
      40018-26-6
    • In-stock
      Dimethyl acetone-1,3-dicarboxylate|CS-W017517
      1830-54-2
    • ~10%
    • Methyl 2-(2-methoxy-2-oxoethyl)thiophene-3-carboxylate|CS-0972336
      865187-80-0
    • In-stock
      Methyl 2-methylthiophene-3-carboxylate|CS-W022811
      53562-51-9

    References

    • Tetrahedron, , vol. 67, # 45 p. 8679 - 8684
  • Route2
    • null|null
      67-56-1
    • In-stock
      2-Methylthiophene-3-carboxylic acid|CS-W005121
      1918-78-1
    • ~77%
    • In-stock
      Methyl 2-methylthiophene-3-carboxylate|CS-W022811
      53562-51-9

    References

    • Lang, Martin; Seifert, Markus H.-J.; Wolf, Kristina K.; Aschenbrenner, Andrea; Baumgartner, Roland; Wieber, Tanja; Trentinaglia, Viola; Blisse, Marcus; Tajima, Nobumitsu; Yamashita, Tokuyuki; Vitt, Daniel; Noda, Hitoshi Bioorganic and Medicinal Chemistry Letters, 2011 , vol. 21, # 18 p. 5417 - 5422
  • Route3
    • In-stock
      2-Methylthiophene-3-carboxylic acid|CS-W005121
      1918-78-1
    • null|null
      74-88-4
    • ~86%
    • In-stock
      Methyl 2-methylthiophene-3-carboxylate|CS-W022811
      53562-51-9

    References

    • Charonnat; Muchowski; Nelson Journal of Heterocyclic Chemistry, 1983 , vol. 20, # 4 p. 1085 - 1087

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

Quality Control

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   1.84312
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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