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CS-W001157 4
Total: USD 88.00

4-((5-Formyl-1H-imidazol-1-yl)methyl)benzonitrile

  • CAS No. 183500-37-0

  • Cat. No. CS-0488687
  • Purity≥98%
  • MDL No.MFCD06657146

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

4-((5-Formyl-1H-imidazol-1-yl)methyl)benzonitrile|CS-0488687

Structure of 183500-37-0

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General Information

  • CAS No. 183500-37-0
  • Cat. No. CS-0488687
  • Purity ≥98%
  • MDL No. MFCD06657146
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₉N₃O
  • Molecular Weight 211.22
  • Synonym(s) 4-(5-Formyl-imidazol-1-ylmethyl)-benzonitrile
  • SMILES O=CC1=CN=CN1CC1=CC=C(C=C1)C#N

Synthesis

  • Route1

    References

    • Merck and Co., Inc. Patent: US5780488 A1, 1998 ; Title/Abstract Full Text Show Details Merck and Co., Inc. Patent: US6063930 A1, 2000 ; Title/Abstract Full Text Show Details Merck and Co., Inc. Patent: US5919785 A1, 1999 ; US 5919785 A
  • Route2

    References

    • Perez, Michel; Lamothe, Marie; Hill, Bridget; Etievant, Chantal Patent: US2004/204417 A1, 2004 ; Location in patent: Page 15 ; US 20040204417 A1
  • Route3
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    • 4-((5-Formyl-1H-imidazol-1-yl)methyl)benzonitrile|CS-0488687
      183500-37-0

    References

    • Ryckebusch, Adina; Gilleron, Pauline; Millet, Regis; Houssin, Raymond; Lemoine, Amelie; Pommery, Nicole; Grellier, Philippe; Sergheraert, Christian; Henichart, Jean-Pierre Chemical and Pharmaceutical Bulletin, 2005 , vol. 53, # 10 p. 1324 - 1326

Safety Information

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Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   58.68
  • LogP   1.61558
  • H_Acceptors   4
  • H_Donors   0
  • Rotatable_Bonds   3

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