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CS-W001157 4
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Methyl 3-((1,3-dioxoisoindolin-2-yl)methyl)benzoate

  • CAS No. 781632-38-0

  • Cat. No. CS-0301960
  • Molecule weight295.29
  • Purity95+%
  • MDL No.None

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

Methyl 3-((1,3-dioxoisoindolin-2-yl)methyl)benzoate|CS-0301960

Structure of 781632-38-0

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General Information

  • CAS No. 781632-38-0
  • Cat. No. CS-0301960
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₇H₁₃NO₄
  • Molecular Weight 295.29
  • Synonym(s) Methyl 3-[(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)methyl]benzoate
  • SMILES COC(=O)C1=CC=CC(=C1)CN2C(=O)C3=CC=CC=C3C2=O

Synthesis

  • Route1

    References

    • ANTHEM BIOSCIENCES PRIVATE LIMITED Patent: US2012/101099 A1, 2012 ; Location in patent: Page/Page column 28; 29 ;
  • Route2

    References

    • PORTSMOUTH TECHNOLOGIES LLC; SELVAKUMAR, Natesan; RAJULU, Gavara, Govinda; PAZHANIMUTHU, Annamalai; GANESH, Sambasivam Patent: WO2011/21209 A1, 2011 ; WO 2011/021209 A1 Title/Abstract Full Text Show Details ANTHEM BIOSCIENCES PRIVATE LIMITED Patent: US2012/101099 A1, 2012 ;
  • Route3

    References

    • PORTSMOUTH TECHNOLOGIES LLC; SELVAKUMAR, Natesan; RAJULU, Gavara, Govinda; PAZHANIMUTHU, Annamalai; GANESH, Sambasivam Patent: WO2011/21209 A1, 2011 ; WO 2011/021209 A1 Title/Abstract Full Text Show Details ANTHEM BIOSCIENCES PRIVATE LIMITED Patent: US2012/101099 A1, 2012 ;

Safety Information

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GHS Pictogram : N/A
GHS No : N/A
Signal Word : N/A
UN#: N/A
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Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

  • TPSA   63.68
  • LogP   2.2694
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   3

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