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CS-W001157 4
Total: USD 88.00

4-Propoxybenzaldehyde

  • CAS No. 5736-85-6

  • Cat. No. CS-W020540
  • Purity≥96%
  • MDL No.MFCD00014134

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

4-Propoxybenzaldehyde|CS-W020540

Structure of 5736-85-6

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General Information

  • CAS No. 5736-85-6
  • Cat. No. CS-W020540
  • Purity ≥96%
  • MDL No. MFCD00014134
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₀H₁₂O₂
  • Molecular Weight 164.20
  • Synonym(s) Propoxybenzaldehyde
  • SMILES O=CC1=CC=C(OCCC)C=C1

Description

4-Propoxybenzaldehyde features a para-propoxy substituent that enhances solubility in organic media while maintaining electronic compatibility with aromatic aldehydes. This bench-stable compound integrates readily into coupling reactions and serves as a key building block for functionalized benzaldehyde derivatives in synthetic organic chemistry.

Application

4-Propoxybenzaldehyde serves as a versatile building block in synthetic organic chemistry, enabling efficient access to functionalized aromatic scaffolds. Its aldehyde group facilitates standard transformations such as reductive amination, Grignard additions, and Wittig reactions, while the propoxy substituent provides enhanced lipophilicity and metabolic stability. The compound exhibits good bench stability and is readily purified by recrystallization or flash chromatography, making it well-suited for use in medicinal chemistry campaigns and process development workflows.

Synthesis

  • Route1

    References

    • Kitamura, Yoshiaki; Tanaka, Asami; Sato, Mutsumi; Oono, Keiji; Ikawa, Takashi; Maegawa, Tomohiro; Monguchi, Yasunari; Sajiki, Hironao Synthetic Communications, 2007 , vol. 37, # 24 p. 4381 - 4388
  • Route2
    • p-Hydroxybenzaldehyde Bisoprolol Impurity|CS-0229513
      123-08-0
    • null|null
      106-94-5
    • ~87%
    • In-stock
      4-Propoxybenzaldehyde|CS-W020540
      5736-85-6

    References

    • Liu, Wei; Wang, Yalong; Sun, Mingxiao; Zhang, Deteng; Zheng, Meng; Yang, Wenjun Chemical Communications, 2013 , vol. 49, # 54 p. 6042 - 6044
  • Route3

    References

    • Feng, Qiang; Song, Qiuling Journal of Organic Chemistry, 2014 , vol. 79, # 4 p. 1867 - 1871

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   26.3
  • LogP   2.2879
  • H_Acceptors   2
  • H_Donors   0
  • Rotatable_Bonds   4

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