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CS-W001157 4
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Methyl isoquinoline-3-carboxylate

  • CAS No. 27104-73-0

  • Cat. No. CS-W016858
  • Purity≥97%
  • MDL No.MFCD00075138

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

Methyl isoquinoline-3-carboxylate|CS-W016858

Structure of 27104-73-0

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General Information

  • CAS No. 27104-73-0
  • Cat. No. CS-W016858
  • Purity ≥97%
  • MDL No. MFCD00075138
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₉NO₂
  • Molecular Weight 187.19
  • Synonym(s) Methylisoquinoline-3-carboxylate
  • SMILES O=C(C1=CC2=C(C=N1)C=CC=C2)OC

Description

Methyl 3-isoquinolinecarboxylate was used in the preparation of 3-acetylisoquinoline.

Synthesis

  • Route1

    References

    • Hiebl, Johann; Kollmann, Hermann; Levinson, Sidney H.; Offen, Priscilla; Shetzline, Steven B.; Badlani, Ruchi Tetrahedron Letters, 1999 , vol. 40, # 45 p. 7935 - 7938
  • Route2
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      Methyl isoquinoline-3-carboxylate|CS-W016858
      27104-73-0

    References

    • Blackburn, Tom; Ramtohul, Yeeman K. Synlett, 2008 , # 8 p. 1159 - 1164
  • Route3

    References

    • Chattopadhyay, Shital K; Maity, Susama; Pal, Benoy K; Panja, Srikanta Tetrahedron Letters, 2002 , vol. 43, # 29 p. 5079 - 5081

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   39.19
  • LogP   2.0214
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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