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tert-Butyl 3-(3-methylpyridin-2-yl)benzoate

  • CAS No. 1083057-12-8

  • Cat. No. CS-M2540
  • Molecule weight269.34
  • Purity≥98%
  • MDL No.MFCD26383927

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

tert-Butyl 3-(3-methylpyridin-2-yl)benzoate|CS-M2540

Structure of 1083057-12-8

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General Information

  • CAS No. 1083057-12-8
  • Cat. No. CS-M2540
  • Purity ≥98%
  • MDL No. MFCD26383927
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₇H₁₉NO₂
  • Molecular Weight 269.34
  • Synonym(s) Benzoic acid, 3-(3-Methyl-2-pyridinyl)-, 1,1-diMethylethyl ester
  • SMILES O=C(OC(C)(C)C)C1=CC=CC(C2=NC=CC=C2C)=C1

Synthesis

  • Route1

    References

    • VERTEX PHARMACEUTICALS INCORPORATED Patent: WO2009/76142 A2, 2009 ; Location in patent: Page/Page column 53-54 ;
  • Route2

    References

    • Vertex Pharmaceuticals Incorported Patent: US2011/98311 A1, 2011 ;

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

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Computational Chemistry Data

  • TPSA   39.19
  • LogP   4.01232
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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