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Methyl 6-methylbenzo[b]thiophene-2-carboxylate

  • CAS No. 82787-72-2

  • Cat. No. CS-0142951
  • Molecule weight206.26
  • Purity≥97%
  • MDL No.MFCD11044570

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

Methyl 6-methylbenzo[b]thiophene-2-carboxylate|CS-0142951

Structure of 82787-72-2

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General Information

  • CAS No. 82787-72-2
  • Cat. No. CS-0142951
  • Purity ≥97%
  • MDL No. MFCD11044570
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₀O₂S
  • Molecular Weight 206.26
  • Synonym(s) Methyl 6-methyl-1-benzothiophene-2-carboxylate
  • SMILES O=C(C1=CC2=CC=C(C)C=C2S1)OC

Synthesis

  • Route1

    References

    • Bridges, Alexander J.; Lee, Arthur; Maduakor, Emmanuel C.; Eric Schwartz Tetrahedron Letters, 1992 , vol. 33, # 49 p. 7499 - 7502
  • Route2

    References

    • Cross; Dickinson; Parry; Randall Journal of Medicinal Chemistry, 1986 , vol. 29, # 9 p. 1637 - 1643
  • Route3
    • null|null
      352-70-5
    • ~%
    • Methyl 6-methylbenzo[b]thiophene-2-carboxylate|CS-0142951
      82787-72-2

    References

    • Bridges, Alexander J.; Lee, Arthur; Maduakor, Emmanuel C.; Eric Schwartz Tetrahedron Letters, 1992 , vol. 33, # 49 p. 7499 - 7502

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

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Computational Chemistry Data

  • TPSA   26.3
  • LogP   2.99632
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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