Cas no 5586-92-5 (1-(4-(Benzyloxy)phenyl)propan-2-one)

1-(4-(Benzyloxy)phenyl)propan-2-one is a synthetic organic compound featuring a benzyl-protected phenolic group linked to a propan-2-one moiety. This structure makes it a versatile intermediate in organic synthesis, particularly for the preparation of pharmaceuticals, fragrances, and specialty chemicals. The benzyloxy group enhances solubility in organic solvents, facilitating further functionalization, while the ketone functionality offers reactivity for nucleophilic additions or reductions. Its stability under standard conditions ensures reliable handling and storage. The compound's well-defined molecular architecture allows for precise modifications, making it valuable in research and industrial applications requiring controlled derivatization. High purity grades are available to meet stringent synthetic requirements.
1-(4-(Benzyloxy)phenyl)propan-2-one structure
5586-92-5 structure
Product Name:1-(4-(Benzyloxy)phenyl)propan-2-one
CAS No:5586-92-5
MF:C16H16O2
MW:240.297044754028
CID:944629
PubChem ID:561253
Update Time:2025-06-15

1-(4-(Benzyloxy)phenyl)propan-2-one Chemical and Physical Properties

Names and Identifiers

    • 1-(4-(Benzyloxy)phenyl)propan-2-one
    • 2-PROPANONE,1-[4-(PHENYLMETHOXY)PHENYL]-
    • 4-Benzyloxyphenylacetone
    • 1-(4-benzyloxyphenyl)acetone
    • 1-(4-benzyloxyphenyl)propan-2-one
    • 1-[4-(Benzyloxy)phenyl]acetone
    • 1-[4-(benzyloxy)phenyl]propan-2-one
    • 1-[4-(benzyloxy)-phenyl]-propan-2-one
    • 4-Benzyloxy-phenylaceton
    • AC1LBNZ6
    • AC1Q1K4Y
    • CTK5A4308
    • KST-1B5631
    • SureCN68570
    • 1-(4-phenylmethoxyphenyl)propan-2-one
    • MFCD02683827
    • A8089
    • 5586-92-5
    • SCHEMBL68570
    • DTXSID70340066
    • AKOS016845846
    • A1-79624
    • 1-[4-(Benzyloxy)phenyl]acetone #
    • 1-(4-benzyloxyphenyl) propan-2-one
    • MDL: MFCD02683827
    • Inchi: 1S/C16H16O2/c1-13(17)11-14-7-9-16(10-8-14)18-12-15-5-3-2-4-6-15/h2-10H,11-12H2,1H3
    • InChI Key: NNFOTEQKNPUXGR-UHFFFAOYSA-N
    • SMILES: O(CC1C=CC=CC=1)C1C=CC(=CC=1)CC(C)=O

Computed Properties

  • Exact Mass: 240.11508
  • Monoisotopic Mass: 240.115029749g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 5
  • Complexity: 248
  • 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
  • Surface Charge: 0
  • Tautomer Count: 3
  • XLogP3: nothing
  • Topological Polar Surface Area: 26.3?2

Experimental Properties

  • PSA: 26.3

1-(4-(Benzyloxy)phenyl)propan-2-one Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Alichem
A019111088-1g
1-(4-(Benzyloxy)phenyl)propan-2-one
5586-92-5 95%
1g
$400.00 2023-09-01
Crysdot LLC
CD12061141-5g
1-(4-(Benzyloxy)phenyl)propan-2-one
5586-92-5 95+%
5g
$823 2024-07-24

Additional information on 1-(4-(Benzyloxy)phenyl)propan-2-one

Professional Introduction to 1-(4-(Benzyloxy)phenyl)propan-2-one (CAS No. 5586-92-5)

1-(4-(Benzyloxy)phenyl)propan-2-one, identified by its Chemical Abstracts Service (CAS) number 5586-92-5, is a significant compound in the field of pharmaceutical chemistry and organic synthesis. This molecule, featuring a benzyloxy-substituted phenyl ring connected to a propan-2-one backbone, has garnered attention due to its structural versatility and potential applications in drug development and material science. The unique arrangement of functional groups in this compound makes it a valuable intermediate for synthesizing more complex molecules, particularly in the design of bioactive agents.

The structural framework of 1-(4-(Benzyloxy)phenyl)propan-2-one combines the aromatic stability of the phenyl ring with the reactivity of the benzyloxy and ketone functionalities. This combination allows for diverse chemical modifications, making it a versatile building block in synthetic chemistry. The benzyloxy group, in particular, is known for its ability to enhance solubility and metabolic stability, which are critical factors in pharmaceutical design. The propan-2-one moiety provides a site for further functionalization, enabling the creation of more intricate molecular structures.

In recent years, research into 1-(4-(Benzyloxy)phenyl)propan-2-one has focused on its role as a precursor in the synthesis of pharmacologically active compounds. Studies have demonstrated its utility in the preparation of derivatives with potential applications in treating neurological disorders, inflammatory conditions, and even oncological diseases. The phenyl ring and its substituents can interact with biological targets in specific ways, influencing receptor binding and signal transduction pathways. This has led to investigations into its derivatives as potential leads for novel therapeutic agents.

The synthesis of 1-(4-(Benzyloxy)phenyl)propan-2-one typically involves multi-step organic reactions, often starting from readily available aromatic precursors. Advanced synthetic methodologies, such as palladium-catalyzed cross-coupling reactions and transition-metal-mediated transformations, have been employed to achieve high yields and purity. These techniques are essential for ensuring that the final product meets the stringent requirements of pharmaceutical applications. The ability to produce this compound efficiently is crucial for both academic research and industrial-scale manufacturing.

One of the most compelling aspects of 1-(4-(Benzyloxy)phenyl)propan-2-one is its potential in medicinal chemistry. Researchers have explored its derivatives as inhibitors of enzymes involved in disease pathways. For instance, modifications to the benzyloxy group have been investigated for their effects on enzyme selectivity and potency. Such studies highlight the importance of this compound as a scaffold for developing new drugs that can target specific biological processes with high precision.

The chemical properties of 1-(4-(Benzyloxy)phenyl)propan-2-one, including its solubility profile and thermal stability, also make it an attractive candidate for material science applications. Its ability to undergo further functionalization allows for the creation of polymers and coatings with tailored properties. These materials could find use in various industries, from electronics to biomedicine, where precise control over molecular structure is essential.

The growing interest in green chemistry has also influenced research on 1-(4-(Benzyloxy)phenyl)propan-2-one. Efforts are being made to develop synthetic routes that minimize waste and reduce environmental impact. Catalytic processes and solvent-free reactions are being explored as alternatives to traditional methods. These advancements not only improve the sustainability of producing this compound but also enhance its overall appeal as a chemical building block.

In conclusion, 1-(4-(Benzyloxy)phenyl)propan-2-one (CAS No. 5586-92-5) represents a fascinating intersection of pharmaceutical chemistry and organic synthesis. Its structural features and reactivity make it a valuable intermediate for developing new drugs and advanced materials. As research continues to uncover new applications for this compound, its significance in both academic and industrial settings is likely to grow further. The ongoing development of efficient synthetic methods ensures that access to this versatile molecule will remain reliable and scalable for future innovations.

Recommended suppliers
Nanjing jingzhu bio-technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Nanjing jingzhu bio-technology Co., Ltd.
Zouping Mingyuan Import and Export Trading Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Zouping Mingyuan Import and Export Trading Co., Ltd
ASIACHEM I&E (JIANGSU) CO., LTD
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
ASIACHEM I&E (JIANGSU) CO., LTD
Wuhan ChemNorm Biotech Co.,Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Wuhan ChemNorm Biotech Co.,Ltd.
Hangzhou TSurgeX Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Hangzhou TSurgeX Pharmaceutical Technology Co., Ltd.