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CS-W001157 4
Total: USD 88.00

Methyl isoquinoline-4-carboxylate

  • CAS No. 20317-40-2

  • Cat. No. CS-W022889
  • Molecule weight187.20
  • Purity≥98%
  • MDL No.MFCD11111833

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

Methyl isoquinoline-4-carboxylate|CS-W022889

Structure of 20317-40-2

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General Information

  • CAS No. 20317-40-2
  • Cat. No. CS-W022889
  • Purity ≥98%
  • MDL No. MFCD11111833
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₉NO₂
  • Molecular Weight 187.20
  • Synonym(s) METHYL 4-ISOQUINOLINECARBOXYLATE
  • SMILES O=C(C1=CN=CC2=C1C=CC=C2)OC

Synthesis

  • Route1
    • null|null
      67-56-1
    • In-stock
      Isoquinoline-4-carboxylic acid|CS-W003960
      7159-36-6
    • ~55%
    • In-stock
      Methyl isoquinoline-4-carboxylate|CS-W022889
      20317-40-2

    References

    • LUPIN LIMITED; KULKARNI, Sanjeev Anant; MADAN, Sachin; JANA, Nirmal Kumar; TALE, Prashant Vitthalrao; CHEEMALA, Narasimha Murthy; MAHANGARE, Sachin Jaysing; VIDHATE, Prashant Popatrao; KULKARNI, Chaitanya Prabhakar; PATEL, Sapana Suresh; PATIL, Amolsing Dattu; ZADE, Seema Prabhakar; SHINDE, Rohan Mahadev; PALLE, Venkata P.; KAMBOJ, Rajender Kumar Patent: US2013/178457 A1, 2013 ; Location in patent: Paragraph 0222 ;
  • Route2
    • null|null
      67-56-1
    • null|null
      370580-85-1
    • ~%
    • In-stock
      Methyl isoquinoline-4-carboxylate|CS-W022889
      20317-40-2

    References

    • WO2007/89626 A2, ; Page/Page column 72 ;
  • Route3
    • null|null
      67-56-1
    • In-stock
      4-Bromoisoquinoline|CS-D1707
      1532-97-4
    • null|null
      201230-82-2
    • ~88%
    • In-stock
      Methyl isoquinoline-4-carboxylate|CS-W022889
      20317-40-2

    References

    • Martinelli, Joseph R.; Watson, Donald A.; Freckmann, Dominique M. M.; Barder, Timothy E.; Buchwald, Stephen L. Journal of Organic Chemistry, 2008 , vol. 73, # 18 p. 7102 - 7107

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

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