Cas no 57479-71-7 (Benzoic acid, 4-chloro-2-(phenylmethoxy)-)
Benzoic acid, 4-chloro-2-(phenylmethoxy)- Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid, 4-chloro-2-(phenylmethoxy)-
- 4-chloro-2-phenylmethoxybenzoic acid
- MCBKBOQPEWFTLJ-UHFFFAOYSA-N
- 57479-71-7
- SCHEMBL3926335
- DB-127289
- DTXSID50625722
- AKOS008971007
- E90875
- A1-05423
- 2-Benzyloxy-4-chlorobenzoic Acid
- 2-(benzyloxy)-4-chlorobenzoic acid
- MFCD13227458
-
- MDL: MFCD13227458
- Inchi: 1S/C14H11ClO3/c15-11-6-7-12(14(16)17)13(8-11)18-9-10-4-2-1-3-5-10/h1-8H,9H2,(H,16,17)
- InChI Key: MCBKBOQPEWFTLJ-UHFFFAOYSA-N
- SMILES: ClC1C=CC(C(=O)O)=C(C=1)OCC1C=CC=CC=1
Computed Properties
- Exact Mass: 262.03973
- Monoisotopic Mass: 262.0396719g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 276
- 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: 3.5
- Topological Polar Surface Area: 46.5?2
Experimental Properties
- PSA: 46.53
Benzoic acid, 4-chloro-2-(phenylmethoxy)- Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Matrix Scientific | 178280-5g |
4-Chloro-2-phenylmethoxybenzoic acid, 95% |
57479-71-7 | 95% | 5g |
$1320.00 | 2023-09-10 | |
| Aaron | AR01I580-500mg |
Benzoic acid, 4-chloro-2-(phenylmethoxy)- |
57479-71-7 | 95% | 500mg |
$521.00 | 2025-02-17 | |
| Aaron | AR01I580-1g |
Benzoic acid, 4-chloro-2-(phenylmethoxy)- |
57479-71-7 | 95% | 1g |
$695.00 | 2025-02-17 | |
| abcr | AB575011-250mg |
2-(Benzyloxy)-4-chlorobenzoic acid; . |
57479-71-7 | 250mg |
€344.20 | 2025-04-17 | ||
| abcr | AB575011-1g |
2-(Benzyloxy)-4-chlorobenzoic acid; . |
57479-71-7 | 1g |
€634.90 | 2025-04-17 | ||
| abcr | AB575011-5g |
2-(Benzyloxy)-4-chlorobenzoic acid; . |
57479-71-7 | 5g |
€2130.40 | 2025-04-17 |
Benzoic acid, 4-chloro-2-(phenylmethoxy)- Suppliers
Benzoic acid, 4-chloro-2-(phenylmethoxy)- Related Literature
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
Additional information on Benzoic acid, 4-chloro-2-(phenylmethoxy)-
Benzoic Acid, 4-Chloro-2-(Phenylmethoxy)- (CAS No. 57479-71-7)
Benzoic acid, 4-chloro-2-(phenylmethoxy)-, also known by its CAS number 57479-71-7, is a chemically synthesized compound with significant applications in various fields, including pharmaceuticals, agrochemicals, and material sciences. This compound is characterized by its unique structure, which includes a benzoic acid backbone substituted with a chlorine atom at the 4-position and a phenylmethoxy group at the 2-position. The combination of these substituents imparts distinctive chemical and physical properties to the molecule.
The synthesis of benzoic acid, 4-chloro-2-(phenylmethoxy)- typically involves multi-step organic reactions, often utilizing coupling agents and catalysts to achieve high yields and purity. Recent advancements in catalytic processes have enabled more efficient syntheses, reducing production costs and environmental impact. For instance, the use of palladium-catalyzed cross-coupling reactions has become a standard method for constructing the phenylmethoxy group on the aromatic ring.
In terms of applications, benzoic acid derivatives are widely explored in drug discovery due to their potential as scaffolds for bioactive molecules. The presence of the phenylmethoxy group enhances the compound's lipophilicity, which is crucial for drug absorption and bioavailability. Recent studies have demonstrated that this compound exhibits moderate inhibitory activity against certain enzymes involved in inflammatory pathways, making it a promising candidate for anti-inflammatory drug development.
Beyond pharmaceuticals, benzoic acid derivatives are also utilized in agrochemicals as fungicides or herbicides. The chlorine substituent in this compound contributes to its stability under environmental conditions, making it suitable for agricultural applications. Researchers have reported that this compound shows selective toxicity towards certain plant pathogens without adversely affecting crop growth.
In the realm of material sciences, benzoic acid derivatives are being investigated as precursors for advanced materials such as polymers and nanoparticles. The ability to functionalize the aromatic ring with various substituents allows for tailored properties in these materials. For example, incorporating this compound into polymer matrices can enhance thermal stability and mechanical strength.
The environmental impact of benzoic acid derivatives has also been a topic of recent research interest. Studies have shown that while these compounds are generally stable under ambient conditions, their degradation pathways under specific environmental conditions need further investigation to ensure sustainable use.
In conclusion, benzoic acid, 4-chloro-2-(phenylmethoxy)- (CAS No. 57479-71-7) is a versatile compound with diverse applications across multiple industries. Its unique structure enables it to serve as a valuable building block in chemical synthesis and material development. As research continues to uncover new potential uses and optimize its production processes, this compound is poised to play an increasingly important role in both academic and industrial settings.
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