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CS-W001157 4
Total: USD 88.00

3-Acetylbenzaldehyde

  • CAS No. 41908-11-6

  • Cat. No. CS-0204479
  • Purity≥98%
  • MDL No.MFCD05865161

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

3-Acetylbenzaldehyde|CS-0204479

Structure of 41908-11-6

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General Information

  • CAS No. 41908-11-6
  • Cat. No. CS-0204479
  • Purity ≥98%
  • MDL No. MFCD05865161
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₉H₈O₂
  • Molecular Weight 148.16
  • Synonym(s) 3-Acetobenzaldehyde
  • SMILES O=CC1=CC=CC(=C1)C(=O)C

Description

3-Acetylbenzaldehyde features a strategically positioned acetyl group ortho to the aldehyde, enhancing its reactivity in electrophilic aromatic substitution and enabling direct incorporation into complex heterocycles. This bench-stable, moisture-tolerant compound serves as a key building block for pharmaceutical intermediates and functional materials.

Synthesis

  • Route1
    • In-stock
      Acetamide|CS-0015934
      60-35-5
    • null|null
      100-52-7
    • ~%
    • In-stock
      3-Acetylbenzaldehyde|CS-0204479
      41908-11-6

    References

    • Satish Kumar, Mukka; Chinna Rajanna, Kamatala; Venkanna, Purugula; Venkateswarlu, Marri Tetrahedron Letters, 2014 , vol. 55, # 10 p. 1756 - 1759
  • Route2
    • 1-(3-(Hydroxymethyl)phenyl)ethan-1-ol|CS-0683826
      1013027-15-0
    • ~6%
    • 3-(1-Hydroxyethyl)benzaldehyde|CS-1635372
      1313850-70-2
    • In-stock
      3-Acetylbenzaldehyde|CS-0204479
      41908-11-6

    References

    • Yu, Kaihui; Ye, Dongnai; Shu, Lei; Zhang, Shiyong; Hu, Qiaosheng; Liu, Liangxian Synthetic Communications, 2012 , vol. 42, # 15 p. 2318 - 2326
  • Route3

    References

    • Sun, Li; Pei, Wen; Shen, Chen Journal of Chemical Research, 2006 , # 6 p. 388 - 389

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
Precautionary Statements : P264-P270-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   34.14
  • LogP   1.7017
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   2

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