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CS-W001157 4
Total: USD 88.00

Methyl 6-chloro-5-(trifluoromethyl)nicotinate

  • CAS No. 1360952-35-7

  • Cat. No. CS-0120449
  • Molecule weight239.58
  • Purity≥98%
  • MDL No.MFCD22559931

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

Methyl 6-chloro-5-(trifluoromethyl)nicotinate|CS-0120449

Structure of 1360952-35-7

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General Information

  • CAS No. 1360952-35-7
  • Cat. No. CS-0120449
  • Purity ≥98%
  • MDL No. MFCD22559931
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅ClF₃NO₂
  • Molecular Weight 239.58
  • Synonym(s) ethyl 6-chloro-5-(trifluoromethyl)nicotinate
  • SMILES O=C(OC)C1=CN=C(Cl)C(C(F)(F)F)=C1

Description

Methyl 6-chloro-5-(trifluoromethyl)nicotinate features a trifluoromethyl group that imparts enhanced electron-withdrawing character and metabolic stability. The chloro substituent at the 6-position enables selective functionalization in late-stage diversification. This bench-stable ester integrates readily into synthetic routes for bioactive heterocycles, offering improved solubility and reactivity under standard conditions.

Application

Methyl 6-chloro-5-(trifluoromethyl)nicotinate serves as a versatile building block in medicinal chemistry, enabling direct incorporation of both chloro and trifluoromethyl groups into heterocyclic scaffolds. The ester functionality facilitates downstream transformations, while the electron-deficient pyridine core supports palladium-catalyzed cross-coupling reactions. Bench-stable and compatible with standard purification methods, it functions as a key intermediate in the synthesis of bioactive nitrogen-containing compounds.

Synthesis

  • Route1
    • null|null
      1514-87-0
    • In-stock
      Methyl 6-chloro-5-iodonicotinate|CS-0012611
      365413-29-2
    • ~%
    • In-stock
      Methyl 6-chloro-5-(trifluoromethyl)nicotinate|CS-0120449
      1360952-35-7

    References

    • Mulder, Jason A.; Frutos, Rogelio P.; Patel, Nitinchandra D.; Qu, Bo; Sun, Xiufeng; Tampone, Thomas G.; Gao, Joe; Sarvestani, Max; Eriksson, Magnus C.; Haddad, Nizar; Shen, Sherry; Song, Jinhua J.; Senanayake, Chris H. Organic Process Research and Development, 2013 , vol. 17, # 6 p. 940 - 945
  • Route2

    References

    • Mulder, Jason A.; Frutos, Rogelio P.; Patel, Nitinchandra D.; Qu, Bo; Sun, Xiufeng; Tampone, Thomas G.; Gao, Joe; Sarvestani, Max; Eriksson, Magnus C.; Haddad, Nizar; Shen, Sherry; Song, Jinhua J.; Senanayake, Chris H. Organic Process Research and Development, 2013 , vol. 17, # 6 p. 940 - 945
  • Route3

    References

    • Mulder, Jason A.; Frutos, Rogelio P.; Patel, Nitinchandra D.; Qu, Bo; Sun, Xiufeng; Tampone, Thomas G.; Gao, Joe; Sarvestani, Max; Eriksson, Magnus C.; Haddad, Nizar; Shen, Sherry; Song, Jinhua J.; Senanayake, Chris H. Organic Process Research and Development, 2013 , vol. 17, # 6 p. 940 - 945

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-H320-H335
Precautionary Statements : P264-P270-P330

Quality Control

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Computational Chemistry Data

  • TPSA   39.19
  • LogP   2.5404
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   1

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