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CS-W001157 4
Total: USD 88.00

Diethyl 2-(4-cyanatophenyl)-2-methylmalonate

  • CAS No. 88975-83-1

  • Cat. No. CS-0458597
  • Molecule weight291.30
  • Purity≥98%
  • MDL No.None

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

Diethyl 2-(4-cyanatophenyl)-2-methylmalonate|CS-0458597

Structure of 88975-83-1

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General Information

  • CAS No. 88975-83-1
  • Cat. No. CS-0458597
  • Purity ≥98%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₁₇NO₅
  • Molecular Weight 291.30
  • Synonym(s) Diethyl [(4-cyanatophenyl)methyl]propanedioate
  • SMILES O=C(OCC)C(C)(C1=CC=C(OC#N)C=C1)C(OCC)=O

Synthesis

  • Route1
    • null|null
      506-68-3
    • null|null
      76510-82-2
    • ~%
    • Diethyl 2-(4-cyanatophenyl)-2-methylmalonate|CS-0458597
      88975-83-1

    References

    • Maeda; Ohsugi; Fujioka; Hirose Chemical and Pharmaceutical Bulletin, 1983 , vol. 31, # 10 p. 3424 - 3445
  • Route2
    • Diethyl 2-(4-aminophenyl)-2-methylmalonate|CS-1161922
      61881-50-3
    • ~%
    • Diethyl 2-(4-cyanatophenyl)-2-methylmalonate|CS-0458597
      88975-83-1

    References

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

Safety Information

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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   1.93038
  • H_Acceptors   6
  • H_Donors   0
  • Rotatable_Bonds   6

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