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CS-W001157 4
Total: USD 88.00

2-(2,4-Dimethoxyphenyl)acetonitrile

  • CAS No. 1891-11-8

  • Cat. No. CS-0103696
  • Purity95+%
  • MDL No.None

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

2-(2,4-Dimethoxyphenyl)acetonitrile|CS-0103696

Structure of 1891-11-8

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General Information

  • CAS No. 1891-11-8
  • Cat. No. CS-0103696
  • Purity 95+%
  • MDL No. None
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₁NO₂
  • Molecular Weight 177.20
  • Synonym(s) Benzeneacetonitrile,2,4-dimethoxy
  • SMILES N#CCC1=CC=C(OC)C=C1OC

Synthesis

  • Route1

    References

    • SB PHARMCO PUERTO RICO INC.; NEUROCRINE BIOSCIENCES INC. Patent: WO2006/44958 A1, 2006 ; Location in patent: Page/Page column 42 ; WO 2006/044958 A1
  • Route2
    • null|null
      109384-40-9
    • null|null
      590-17-0
    • ~60%
    • 2,2',4,4'-Tetramethoxy-1,1'-biphenyl|CS-0662421
      3153-72-8
    • 2-(2,4-Dimethoxyphenyl)acetonitrile|CS-0103696
      1891-11-8

    References

    • Frejd, Torbjoern; Klingstedt, Tomas Synthesis, 1987 , # 1 p. 40 - 42
  • Route3
    • null|null
      139109-55-0
    • ~94%
    • 2-(2,4-Dimethoxyphenyl)acetonitrile|CS-0103696
      1891-11-8

    References

    • Kitagawa; Kawaguchi; Inoue; Katayama Chemical and Pharmaceutical Bulletin, 1991 , vol. 39, # 11 p. 3030 - 3033

Safety Information

Download SDS
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

Quality Control

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Computational Chemistry Data

  • TPSA   42.25
  • LogP   1.76988
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   3

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