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CS-W001157 4
Total: USD 88.00

3-Cyanobenzyl alcohol

  • CAS No. 874-97-5

  • Cat. No. CS-W007707
  • Purity≥98%
  • MDL No.MFCD01321087

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

3-Cyanobenzyl alcohol|CS-W007707

Structure of 874-97-5

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General Information

  • CAS No. 874-97-5
  • Cat. No. CS-W007707
  • Purity ≥98%
  • MDL No. MFCD01321087
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₇NO
  • Molecular Weight 133.15
  • Synonym(s) 3-(Hydroxymethyl)benzonitrile
  • SMILES N#CC1=CC(CO)=CC=C1

Description

3-Cyanobenzyl alcohol features a para-cyano group flanking a primary alcohol, enabling dual reactivity for conjugate additions and derivatization. This bench-stable compound integrates readily into synthetic sequences requiring orthogonal functional handles, delivering high compatibility in transition-metal-catalyzed transformations and peptide coupling workflows.

Application

3-Cyanobenzyl alcohol serves as a versatile building block in synthetic organic chemistry, enabling efficient access to functionalized aromatic scaffolds. Its dual functionality—cyano and hydroxymethyl groups—supports orthogonal transformations, including nucleophilic addition, oxidation to carboxylic acid, and reductive amination. The compound exhibits good bench stability and facilitates straightforward purification, making it well-suited for medicinal chemistry campaigns and process development workflows.

Synthesis

  • Route1

    References

    • Journal of Labelled Compounds and Radiopharmaceuticals, , vol. 44, p. S404 - S406
  • Route2

    References

    • US2007/270438 A1, ; Page/Page column 42 ; US 20070270438 A1
  • Route3
    • In-stock
      (3-Bromophenyl)methanol|CS-W007761
      15852-73-0
    • null|null
      151-50-8
    • ~91%
    • In-stock
      3-Cyanobenzyl alcohol|CS-W007707
      874-97-5

    References

    • Organic Letters, , vol. 6, # 17 p. 2837 - 2840

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H315-H319-H335
Precautionary Statements : P261-P264-P271-P280-P302+P352

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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