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CS-W001157 4
Total: USD 88.00

Diphenylacetonitrile

  • CAS No. 86-29-3

  • Cat. No. CS-W015768
  • Purity≥98%
  • MDL No.MFCD00001862

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

Diphenylacetonitrile|CS-W015768

Structure of 86-29-3

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General Information

  • CAS No. 86-29-3
  • Cat. No. CS-W015768
  • Purity ≥98%
  • MDL No. MFCD00001862
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₄H₁₁N
  • Molecular Weight None
  • Synonym(s) 2,2-Diphenylacetonitrile
  • SMILES N#CC(C1=CC=CC=C1)C2=CC=CC=C2

Description

Boc-NH-PEG2-NH-Boc contains two Boc protecting groups and a hydrophilic PEG spacer. The Boc protecting groups are acid labile. The hydrophilic PEG linker increases the water solubility of the compound in aqueous media.

Application

Diphenylacetonitrile serves as a versatile building block in synthetic organic chemistry, enabling efficient access to functionalized benzyl derivatives and heterocyclic scaffolds. Its nitrile group exhibits excellent stability under standard reaction conditions and tolerates a broad range of functional groups, facilitating transformations such as hydrolysis to carboxylic acids or reduction to primary amines. The molecule’s rigid diphenyl architecture enhances structural definition in target compounds, making it particularly valuable for medicinal chemistry and materials science applications.

Synthesis

  • Route1

    References

    • Synthetic Communications, , vol. 14, # 14 p. 1365 - 1372
  • Route2
    • In-stock
      Potassium 2-cyanoacetate|CS-0162555
      7062-95-5
    • null|null
      108-90-7
    • ~20%
    • In-stock
      Diphenylacetonitrile|CS-W015768
      86-29-3

    References

    • Shang, Rui; Ji, Dong-Sheng; Chu, Ling; Fu, Yao; Liu, Lei Angewandte Chemie - International Edition, 2011 , vol. 50, # 19 p. 4470 - 4474
  • Route3
    • null|null
      25084-02-0
    • ~86%
    • In-stock
      3-Phenylindole|CS-0186850
      1504-16-1
    • In-stock
      Diphenylacetonitrile|CS-W015768
      86-29-3

    References

    • Journal of the Chemical Society, Perkin Transactions 2, , # 5 p. 1033 - 1037

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS09
Signal Word : Warning
UN#: 3077
Class : 9
Packing Group : Ⅲ
Hazard Statements : H411
Precautionary Statements : P273-P391-P501

Quality Control

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Computational Chemistry Data

  • TPSA   23.79
  • LogP   3.34208
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   2

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