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Diethyl 2-(4-cyanato-2-methylphenyl)-2-methylmalonate

  • CAS No. 88975-85-3

  • Cat. No. CS-0458598
  • Molecule weight305.33
  • Purity≥98%
  • MDL No.None

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

Diethyl 2-(4-cyanato-2-methylphenyl)-2-methylmalonate|CS-0458598

Structure of 88975-85-3

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General Information

  • CAS No. 88975-85-3
  • Cat. No. CS-0458598
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₆H₁₉NO₅
  • Molecular Weight 305.33
  • Synonym(s) Diethyl [(4-cyanato-2-methylphenyl)methyl]propanedioate
  • SMILES O=C(OCC)C(C)(C1=CC=C(OC#N)C=C1C)C(OCC)=O

Synthesis

  • Route1

    References

    • Maeda; Ohsugi; Fujioka; Hirose Chemical and Pharmaceutical Bulletin, 1983 , vol. 31, # 10 p. 3424 - 3445
  • Route2
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      88975-07-9
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    • Diethyl 2-(4-cyanato-2-methylphenyl)-2-methylmalonate|CS-0458598
      88975-85-3

    References

    • Maeda; Ohsugi; Fujioka; Hirose Chemical and Pharmaceutical Bulletin, 1983 , vol. 31, # 10 p. 3424 - 3445
  • Route3

    References

    • Maeda; Ohsugi; Fujioka; Hirose Chemical and Pharmaceutical Bulletin, 1983 , vol. 31, # 10 p. 3424 - 3445

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   85.62
  • LogP   2.2388
  • H_Acceptors   6
  • H_Donors   0
  • Rotatable_Bonds   6

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