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CS-W001157 4
Total: USD 88.00

Diethyl 2-(4-cyanato-3-methylphenyl)-2-methylmalonate

  • CAS No. 88975-88-6

  • Cat. No. CS-0458600
  • Molecule weight305.33
  • Purity≥98%
  • MDL No.None

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

Diethyl 2-(4-cyanato-3-methylphenyl)-2-methylmalonate|CS-0458600

Structure of 88975-88-6

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General Information

  • CAS No. 88975-88-6
  • Cat. No. CS-0458600
  • 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-3-methylphenyl)methyl]propanedioate
  • SMILES O=C(OCC)C(C)(C1=CC=C(OC#N)C(C)=C1)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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    • Diethyl 2-(4-cyanato-3-methylphenyl)-2-methylmalonate|CS-0458600
      88975-88-6

    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

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

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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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