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CS-W001157 4
Total: USD 88.00

Ethyl 2-chloro-4-methylnicotinate

  • CAS No. 50840-02-3

  • Cat. No. CS-0135022
  • Molecule weight199.63
  • Purity≥97%
  • MDL No.MFCD11501333

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

Ethyl 2-chloro-4-methylnicotinate|CS-0135022

Structure of 50840-02-3

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General Information

  • CAS No. 50840-02-3
  • Cat. No. CS-0135022
  • Purity ≥97%
  • MDL No. MFCD11501333
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₁₀ClNO₂
  • Molecular Weight 199.63
  • Synonym(s) 2-CHLORO-4-METHYL-NICOTINIC ACID ETHYL ESTER
  • SMILES O=C(C1=C(C)C=CN=C1Cl)OCC

Synthesis

  • Route1
    • Ethyl 2-cyano-5-(dimethylamino)-3-methylpenta-2,4-dienoate|CS-1347867
      65996-11-4
    • ~66%
    • Ethyl 2-chloro-4-methylnicotinate|CS-0135022
      50840-02-3

    References

    • Nippon Zoki Pharmaceutical Co., Ltd. Patent: EP2128136 A1, 2009 ; Location in patent: Page/Page column 8 ; EP 2128136 A1
  • Route2
    • Ethyl (2E,4E)-2-cyano-5-(dimethylamino)-3-methylpenta-2,4-dienoate|CS-0742186
      124571-74-0
    • ~30%
    • Ethyl 2-chloro-4-methylnicotinate|CS-0135022
      50840-02-3

    References

    • Boehringer Ingelheim Pharmaceuticals, Inc. Patent: US6136982 A1, 2000 ;
  • Route3
    • null|null
      152362-00-0
    • ~17%
    • Ethyl 2-chloro-4-methylnicotinate|CS-0135022
      50840-02-3

    References

    • Zhang; Stout; Keay; Scriven; Toomey; Goe Tetrahedron, 1995 , vol. 51, # 48 p. 13177 - 13184

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   2.22012
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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