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CS-W001157 4
Total: USD 88.00

2-Formylbenzonitrile

  • CAS No. 7468-67-9

  • Cat. No. CS-W004147
  • Purity≥98%
  • MDL No.MFCD00017503

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

2-Formylbenzonitrile|CS-W004147

Structure of 7468-67-9

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General Information

  • CAS No. 7468-67-9
  • Cat. No. CS-W004147
  • Purity ≥98%
  • MDL No. MFCD00017503
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅NO
  • Molecular Weight None
  • Synonym(s) 2-Cyanobenzaldehyde; 2-Formylbenzonitrile
  • SMILES N#CC1=CC=CC=C1C=O

Description

Aldol addition of enolizable 1,3-dicarbonyl compounds to 2-cyanobenzaldehyde in the presence of a tertiary amine has been reported. Biotransformation of 2-cyanobenzaldehyde by Euglena gracilis Z cultured photohetero-trophically has been reported.2-Cyanobenzaldehyde may be used:in the base-catalyzed one-pot synthesis of 3-substituted isoindolinonesin the synthesis of 3-oxo-2,3-dihydro-1H-isoindoles, via Baylis-Hillman reactionin the synthesis of 3-(N-substituted amino)-1-isoindolenones

Synthesis

  • Route1

    References

    • Zhu, Chen; Wang, Rui; Falck Organic Letters, 2012 , vol. 14, # 13 p. 3494 - 3497
  • Route2
    • null|null
      201230-82-2
    • In-stock
      2-Cyanophenyl trifluoromethanesulfonate|CS-1218222
      138313-23-2
    • ~16%
    • In-stock
      2-Formylbenzonitrile|CS-W004147
      7468-67-9

    References

    • Brennfuhrer, Anne; Neumann, Helfried; Beller, Matthias Synlett, 2007 , # 16 p. 2537 - 2540
  • Route3
    • 2-(Dibromomethyl)benzonitrile Alogliptin Impurity|CS-0311346
      655-63-0
    • ~83%
    • In-stock
      2-Formylbenzonitrile|CS-W004147
      7468-67-9

    References

    • Sun, Caiyun; Xu, Bin Journal of Organic Chemistry, 2008 , vol. 73, # 18 p. 7361 - 7364

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 3439
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H302+H312+H332-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   40.86
  • LogP   1.37078
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   1

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