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CS-W001157 4
Total: USD 88.00

4-Cyanobenzyl alcohol

  • CAS No. 874-89-5

  • Cat. No. CS-W003983
  • Purity≥97%
  • MDL No.MFCD00870633

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

4-Cyanobenzyl alcohol|CS-W003983

Structure of 874-89-5

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General Information

  • CAS No. 874-89-5
  • Cat. No. CS-W003983
  • Purity ≥97%
  • MDL No. MFCD00870633
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇NO
  • Molecular Weight 133.15
  • Synonym(s) 4-(Hydroxymethyl)benzonitrile
  • SMILES OCc1ccc(cc1)C#N

Description

4-(Hydroxymethyl)benzonitrile can be synthesized via hydrosilylation reaction in the presence of Fe complex Bu4N[Fe(CO)3(NO)] [catalyst]. It can also be prepared from 4-(aminomethyl) benzyl alcohol.4-(Hydroxymethyl)benzonitrile [p-(hydroxymethyl)benzonitrile] may be used to synthesize p-((vinyloxy)methyl)benzonitrile (VOMBN).

Synthesis

  • Route1
    • null|null
      619-65-8
    • ~93%
    • In-stock
      4-Cyanobenzyl alcohol|CS-W003983
      874-89-5

    References

    • Pfizer Inc Patent: US2007/270438 A1, 2007 ; Location in patent: Page/Page column 39 ; US 20070270438 A1
  • Route2

    References

    • Lee, Seung Hwan; Nam, Mi Hye; Cho, Min Young; Yoo, Byung Woo; Rhee, Hak June; Yoon, Cheol Min Synthetic Communications, 2006 , vol. 36, # 17 p. 2469 - 2474
  • Route3
    • In-stock
      (4-Bromophenyl)methanol|CS-W004067
      873-75-6
    • null|null
      143-33-9
    • ~78%
    • In-stock
      4-Cyanobenzyl alcohol|CS-W003983
      874-89-5

    References

    • Zanon, Jacopo; Klapars, Artis; Buchwald, Stephen L. Journal of the American Chemical Society, 2003 , vol. 125, # 10 p. 2890 - 2891

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+H312+H332-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   44.02
  • LogP   1.05058
  • H_Acceptors   2
  • H_Donors   1
  • Rotatable_Bonds   1

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