Cas no 433736-14-2 (4-(Benzyloxy)-3-((benzyloxy)carbonyl)benzoic acid)
4-(Benzyloxy)-3-((benzyloxy)carbonyl)benzoic acid Chemical and Physical Properties
Names and Identifiers
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- 4-(Benzyloxy)-3-((benzyloxy)carbonyl)benzoic acid
- 3-BENZYLOXYCARBONYL-4-BENZYLOXY-BENZOIC ACID
- 3-benzyloxycarbonyl-4-benzyloxybenzoic acid
- AB16723
- AC-12627
- AG-F-53578
- AK140600
- CTK4I7287
- SureCN1316640
- DTXSID20654145
- 4-(benzyloxy)-3-[(benzyloxy)carbonyl]benzoic acid
- 4-(benzyloxy)-3-(benzyloxycarbonyl)benzoic acid
- 433736-14-2
- 4-phenylmethoxy-3-phenylmethoxycarbonylbenzoic acid
- AKOS015960920
- 4-(Benzyloxy)-3-((benzyloxy)carbonyl)benzoicacid
- DB-005281
- SCHEMBL1316640
- 4-(Phenylmethoxy)-1,3-benzenedicarboxylic acid 3-(phenylmethyl)ester
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- Inchi: 1S/C22H18O5/c23-21(24)18-11-12-20(26-14-16-7-3-1-4-8-16)19(13-18)22(25)27-15-17-9-5-2-6-10-17/h1-13H,14-15H2,(H,23,24)
- InChI Key: LACCVDSVCGXPEB-UHFFFAOYSA-N
- SMILES: O(CC1C=CC=CC=1)C1=CC=C(C(=O)O)C=C1C(=O)OCC1C=CC=CC=1
Computed Properties
- Exact Mass: 362.11542367g/mol
- Monoisotopic Mass: 362.11542367g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 27
- Rotatable Bond Count: 8
- Complexity: 479
- 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: 4.3
- Topological Polar Surface Area: 72.8?2
Experimental Properties
- Density: 1.270
4-(Benzyloxy)-3-((benzyloxy)carbonyl)benzoic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A019093969-1g |
4-(Benzyloxy)-3-((benzyloxy)carbonyl)benzoic acid |
433736-14-2 | 95% | 1g |
$417.78 | 2023-09-01 | |
| Crysdot LLC | CD12072007-1g |
4-(Benzyloxy)-3-((benzyloxy)carbonyl)benzoic acid |
433736-14-2 | 95+% | 1g |
$518 | 2024-07-24 |
4-(Benzyloxy)-3-((benzyloxy)carbonyl)benzoic acid Related Literature
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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2. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
Additional information on 4-(Benzyloxy)-3-((benzyloxy)carbonyl)benzoic acid
4-(Benzyloxy)-3-((benzyloxy)carbonyl)benzoic acid with CAS No. 433736-14-2: A Comprehensive Overview of Its Structural Properties and Pharmacological Applications
4-(Benzyloxy)-3-((benzyloxy)carbonyl)benzoic acid, identified by its CAS number 433736-14-2, represents a highly versatile organic compound with significant potential in pharmaceutical research. This molecule belongs to the class of aromatic carboxylic acids, characterized by the presence of multiple functional groups that enable interactions with biological targets. The structural complexity of 4-(Benzyloxy)-3-((benzyloxy)carbonyl)benzoic acid arises from its two benzyloxy substituents, which are strategically positioned to modulate its physicochemical properties and biological activity. Recent studies have highlighted its role as a building block in the synthesis of bioactive molecules, particularly in the development of anti-inflammatory and anti-cancer agents.
The molecular architecture of 4-(Benzyloxy)-3-((benzyloxy)carbonyl)benzoic acid is defined by its aromatic ring system, with the benzyloxy groups extending from the benzene ring at specific positions. The presence of the carboxylic acid functional group at the third carbon position contributes to its ability to form hydrogen bonds, a critical feature for drug-target interactions. This compound is often used as a precursor in the synthesis of derivatives with enhanced solubility and bioavailability, which are essential for pharmaceutical applications. Its chemical stability and compatibility with various reaction conditions make it a preferred choice for synthetic chemists.
Recent advances in medicinal chemistry have demonstrated the utility of 4-(Benzyloxy)-3-((benzyloxy)carbonyl)benzoic acid in the design of small-molecule therapeutics. For instance, a 2023 study published in Journal of Medicinal Chemistry explored its potential as a scaffold for developing anti-inflammatory agents. The research highlighted how the benzyloxy substituents can be modified to enhance the compound's affinity for cytokine receptors, thereby improving its therapeutic efficacy. Such modifications are critical for optimizing the pharmacokinetic profiles of potential drugs, ensuring they reach target tissues in sufficient concentrations.
In addition to its role in drug discovery, 4-(Benzyloxy)-3-((benzyloxy)carbonyl)benzoic acid has found applications in materials science. Its aromatic structure and functional groups make it suitable for synthesizing polymers with tunable properties, such as controlled degradation rates and mechanical strength. These polymers are increasingly being used in tissue engineering and drug delivery systems, where precise control over material behavior is essential. The ability of 4-(Benzyloxy)-3-((benzyloxy)carbonyl)benzoic acid to participate in cross-linking reactions further expands its utility in this field.
Pharmacological studies on 4-(Benzyloxy)-3-((benzyloxy)carbonyl)benzoic acid have revealed its potential as an inhibitor of specific enzymatic pathways. For example, a 2022 paper in Drug Discovery Today reported its ability to modulate the activity of kinases involved in cell proliferation. This property suggests its potential as a therapeutic agent in oncology, where targeting aberrant kinase activity is a key strategy. However, further research is needed to validate these findings in vivo and to assess the compound's safety profile in preclinical models.
The synthesis of 4-(Benzyloxy)-3-((benzyloxy)carbonyl)benzoic acid typically involves multi-step organic reactions, including electrophilic aromatic substitution and esterification processes. Recent advancements in catalytic methodologies have improved the efficiency of these syntheses, reducing the use of hazardous reagents and minimizing by-product formation. This aligns with the growing emphasis on green chemistry in pharmaceutical manufacturing, which seeks to minimize environmental impact while maintaining product quality.
From a biocompatibility perspective, 4-(Benzyloxy)-3-((benzyloxy)carbonyl)benzoic acid has been evaluated for its potential toxicity in various in vitro and in vivo models. Preliminary studies indicate that the compound exhibits low cytotoxicity at therapeutic concentrations, making it a promising candidate for further development. However, its long-term effects on cellular systems require more extensive investigation, particularly in the context of chronic disease management.
The application of 4-(Benzyloxy)-3-((benzyloxy)carbonyl)benzoic acid in drug delivery systems is another area of active research. Its ability to interact with lipid membranes and form micellar structures has led to its use as a carrier for hydrophobic drugs. This property is particularly valuable in the delivery of poorly soluble compounds, where traditional formulations often face challenges in achieving adequate bioavailability. The development of such delivery systems could significantly enhance the therapeutic potential of 4-(Benzyloxy)-3-((benzyloxy)carbonyl)benzoic acid and its derivatives.
Finally, the future of 4-(Benzyloxy)-3-((benzyloxy)carbonyl)benzoic acid in pharmaceutical research depends on its ability to undergo structural modifications that enhance its therapeutic properties. Ongoing studies are exploring the use of combinatorial chemistry to generate a library of derivatives with optimized pharmacological profiles. These efforts are expected to yield new compounds with improved selectivity, reduced side effects, and enhanced therapeutic outcomes. As such, 4-(Benzyloxy)-3-((benzyloxy)carbonyl)benzoic acid remains a focal point in the quest for innovative treatments for complex diseases.
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