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CS-W001157 4
Total: USD 88.00

Diethyl 2-(cyano(phenyl)methyl)malonate

  • CAS No. 185067-05-4

  • Cat. No. CS-0203803
  • Purity≥97%
  • MDL No.None

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

Diethyl 2-(cyano(phenyl)methyl)malonate|CS-0203803

Structure of 185067-05-4

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General Information

  • CAS No. 185067-05-4
  • Cat. No. CS-0203803
  • Purity ≥97%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₅H₁₇NO₄
  • Molecular Weight 275.30
  • Synonym(s) Diethyl [cyano(phenyl)methyl]malonate
  • SMILES O=C(OCC)C(C(C#N)C1=CC=CC=C1)C(OCC)=O

Synthesis

  • Route1
    • null|null
      7677-24-9
    • Diethyl 2-benzylidenemalonate|CS-0102405
      5292-53-5
    • ~%
    • Diethyl 2-(cyano(phenyl)methyl)malonate|CS-0203803
      185067-05-4

    References

    • Wang, Jun; Li, Wei; Liu, Yanling; Chu, Yangyang; Lin, Lili; Liu, Xiaohua; Feng, Xiaoming Organic Letters, 2010 , vol. 12, # 6 p. 1280 - 1283
  • Route2
    • null|null
      143-33-9
    • Diethyl 2-benzylidenemalonate|CS-0102405
      5292-53-5
    • ~%
    • Diethyl 2-(cyano(phenyl)methyl)malonate|CS-0203803
      185067-05-4

    References

    • Koelsch; Stratton Journal of the American Chemical Society, 1944 , vol. 66, p. 1883
  • Route3
    • null|null
      151-50-8
    • Diethyl 2-benzylidenemalonate|CS-0102405
      5292-53-5
    • ~%
    • Diethyl 2-(cyano(phenyl)methyl)malonate|CS-0203803
      185067-05-4

    References

    • Zelle Synthesis, 1991 , # 11 p. 1023 - 1026

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-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   76.39
  • LogP   2.03618
  • H_Acceptors   5
  • H_Donors   0
  • Rotatable_Bonds   6

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