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CS-W001157 4
Total: USD 88.00

Methyl 4-(hydroxymethyl)thiophene-2-carboxylate

  • CAS No. 816449-72-6

  • Cat. No. CS-0250844
  • Molecule weight172.20
  • Purity95+%
  • MDL No.None

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

Methyl 4-(hydroxymethyl)thiophene-2-carboxylate|CS-0250844

Structure of 816449-72-6

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General Information

  • CAS No. 816449-72-6
  • Cat. No. CS-0250844
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₈O₃S
  • Molecular Weight 172.20
  • Synonym(s) None
  • SMILES COC(=O)C1=CC(=CS1)CO

Synthesis

  • Route1
    • null|null
      54796-51-9
    • ~54%
    • Methyl 4-(hydroxymethyl)thiophene-2-carboxylate|CS-0250844
      816449-72-6

    References

    • JE IL PHARMACEUTICAL CO., LTD. Patent: WO2004/113281 A1, 2004 ; Location in patent: Page 75 ;
  • Route2
    • null|null
      67-56-1
    • null|null
      878744-10-6
    • ~50%
    • Methyl 4-(hydroxymethyl)thiophene-2-carboxylate|CS-0250844
      816449-72-6

    References

    • ASTRAZENECA AB; ASTRAZENECA UK LIMITED Patent: WO2006/24834 A1, 2006 ; Location in patent: Page/Page column 79 ; WO 2006/024834 A1
  • Route3
    • null|null
      878744-10-6
    • ~49%
    • Methyl 4-(hydroxymethyl)thiophene-2-carboxylate|CS-0250844
      816449-72-6

    References

    • ASTRAZENECA AB; ASTRAZENECA UK LIMITED Patent: WO2006/40568 A1, 2006 ; Location in patent: Page/Page column 79-80 ; WO 2006/040568 A1

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   46.53
  • LogP   1.027
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   2

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