Cas no 168625-39-6 (Benzyl 2-(4-formylphenyl)acetate)

Benzyl 2-(4-formylphenyl)acetate structure
168625-39-6 structure
Product Name:Benzyl 2-(4-formylphenyl)acetate
CAS No:168625-39-6
MF:C16H14O3
MW:254.280564785004
CID:1093580
PubChem ID:19966221
Update Time:2025-07-18

Benzyl 2-(4-formylphenyl)acetate Chemical and Physical Properties

Names and Identifiers

    • Benzyl 2-(4-formylphenyl)acetate
    • SCHEMBL2966423
    • Benzyl2-(4-formylphenyl)acetate
    • Benzyl 4-Formylphenylacetate
    • Benzeneacetic acid, 4-formyl-, phenylmethyl ester
    • LADYHVCFUAWXPG-UHFFFAOYSA-N
    • DB-091322
    • 168625-39-6
    • benzyl (4-formylphenyl)acetate
    • Inchi: 1S/C16H14O3/c17-11-14-8-6-13(7-9-14)10-16(18)19-12-15-4-2-1-3-5-15/h1-9,11H,10,12H2
    • InChI Key: LADYHVCFUAWXPG-UHFFFAOYSA-N
    • SMILES: O(C(CC1C=CC(C=O)=CC=1)=O)CC1C=CC=CC=1

Computed Properties

  • Exact Mass: 254.094294304g/mol
  • Monoisotopic Mass: 254.094294304g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 6
  • Complexity: 286
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.7
  • Topological Polar Surface Area: 43.4?2

Benzyl 2-(4-formylphenyl)acetate Pricemore >>

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Additional information on Benzyl 2-(4-formylphenyl)acetate

Benzyl 2-(4-formylphenyl)acetate (CAS No. 168625-39-6): An Overview of Its Synthesis, Applications, and Recent Research

Benzyl 2-(4-formylphenyl)acetate (CAS No. 168625-39-6) is a versatile organic compound that has garnered significant attention in the fields of organic synthesis, medicinal chemistry, and materials science. This compound is characterized by its unique structure, which includes a benzyl ester group and a formyl-functionalized phenyl ring. The combination of these functional groups endows Benzyl 2-(4-formylphenyl)acetate with a wide range of chemical properties and potential applications.

The synthesis of Benzyl 2-(4-formylphenyl)acetate typically involves the esterification of 2-(4-formylphenyl)acetic acid with benzyl alcohol in the presence of a suitable catalyst. Recent advancements in green chemistry have led to the development of more environmentally friendly methods for this synthesis, such as using solid acid catalysts or microwave-assisted reactions. These methods not only reduce the environmental impact but also improve the yield and purity of the final product.

In the realm of medicinal chemistry, Benzyl 2-(4-formylphenyl)acetate has shown promise as an intermediate in the synthesis of various bioactive molecules. The formyl group can be readily converted into other functional groups, such as amines or hydrazones, which are crucial for the development of new drugs. For instance, a recent study published in the Journal of Medicinal Chemistry demonstrated that derivatives of Benzyl 2-(4-formylphenyl)acetate exhibited potent anti-inflammatory and anti-cancer activities. These findings highlight the potential of this compound as a lead molecule in drug discovery.

Moreover, Benzyl 2-(4-formylphenyl)acetate has found applications in materials science, particularly in the development of advanced polymers and coatings. The formyl group can participate in various polymerization reactions, leading to the formation of functionalized polymers with enhanced properties. For example, researchers at the University of California have reported the use of Benzyl 2-(4-formylphenyl)acetate as a monomer in the synthesis of polyurethanes with improved mechanical strength and thermal stability.

The physical and chemical properties of Benzyl 2-(4-formylphenyl)acetate have been extensively studied. It is a colorless liquid with a characteristic odor and is soluble in common organic solvents such as ethanol and dichloromethane. Its molecular weight is approximately 230 g/mol, and it has a boiling point around 300°C under standard atmospheric pressure. These properties make it suitable for various industrial processes and laboratory applications.

In terms of safety, Benzyl 2-(4-formylphenyl)acetate should be handled with care to avoid skin contact and inhalation. It is recommended to use appropriate personal protective equipment (PPE) such as gloves and goggles when working with this compound. Additionally, proper storage conditions should be maintained to prevent degradation or contamination.

Recent research has also explored the potential environmental impact of compounds like Benzyl 2-(4-formylphenyl)acetate. Studies have shown that while this compound is not classified as hazardous under current regulations, it is important to monitor its release into the environment to ensure long-term sustainability. Efforts are underway to develop more eco-friendly synthetic routes and disposal methods for such compounds.

In conclusion, Benzyl 2-(4-formylphenyl)acetate (CAS No. 168625-39-6) is a valuable compound with diverse applications in organic synthesis, medicinal chemistry, and materials science. Its unique chemical structure and versatile reactivity make it an attractive candidate for further research and development. As new methodologies continue to emerge, the potential uses of this compound are likely to expand, contributing to advancements in various scientific fields.

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