Cas no 220438-80-2 ((4-Carboxy-3-ethoxy)phenyl Acetic Acid)
(4-Carboxy-3-ethoxy)phenyl Acetic Acid Chemical and Physical Properties
Names and Identifiers
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- (4-Carboxy-3-ethoxy)phenyl Acetic Acid (Repaglinide Impurity)
- (4-carboxy-2-ethoxy-phenyl)-acetic acid
- (4-Carboxy-3-ethoxy)phenyl Acetic Acid
- 4-(Carboxymethyl)-2-ethoxybenzoic acid
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- Inchi: 1S/C11H12O5/c1-2-16-9-5-7(6-10(12)13)3-4-8(9)11(14)15/h3-5H,2,6H2,1H3,(H,12,13)(H,14,15)
- InChI Key: PRZWZRNYTRQDLH-UHFFFAOYSA-N
- SMILES: O(CC)C1=C(C(=O)O)C=CC(CC(=O)O)=C1
Computed Properties
- Exact Mass: 224.06800
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 16
- Rotatable Bond Count: 5
Experimental Properties
- Density: 1.319±0.06 g/cm3 (20 oC 760 Torr),
- Melting Point: 139-141 oC
- Solubility: Slightly soluble (3.8 g/l) (25 o C),
- PSA: 83.83000
- LogP: 1.41060
(4-Carboxy-3-ethoxy)phenyl Acetic Acid Customs Data
- HS CODE:2918990090
- Customs Data:
China Customs Code:
2918990090Overview:
2918990090. Other additional oxy carboxylic acids(Including anhydrides\Acyl halide\Peroxides, peroxyacids and derivatives of this tax number). VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Summary:
2918990090. other carboxylic acids with additional oxygen function and their anhydrides, halides, peroxides and peroxyacids; their halogenated, sulphonated, nitrated or nitrosated derivatives. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%
(4-Carboxy-3-ethoxy)phenyl Acetic Acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | C177960-2mg |
(4-Carboxy-3-ethoxy)phenyl Acetic Acid |
220438-80-2 | 2mg |
$ 148.00 | 2023-04-18 | ||
| TRC | C177960-5mg |
(4-Carboxy-3-ethoxy)phenyl Acetic Acid |
220438-80-2 | 5mg |
$ 230.00 | 2023-09-08 | ||
| TRC | C177960-10mg |
(4-Carboxy-3-ethoxy)phenyl Acetic Acid |
220438-80-2 | 10mg |
$ 425.00 | 2023-09-08 | ||
| TRC | C177960-25mg |
(4-Carboxy-3-ethoxy)phenyl Acetic Acid |
220438-80-2 | 25mg |
$ 1039.00 | 2023-09-08 | ||
| TRC | C177960-50mg |
(4-Carboxy-3-ethoxy)phenyl Acetic Acid |
220438-80-2 | 50mg |
$ 1748.00 | 2023-04-18 | ||
| Alichem | A019097526-1g |
4-(Carboxymethyl)-2-ethoxybenzoic acid |
220438-80-2 | 95% | 1g |
$443.10 | 2023-09-02 | |
| A2B Chem LLC | AF62884-5mg |
4-(Carboxymethyl)-2-ethoxybenzoic acid |
220438-80-2 | 5mg |
$327.00 | 2024-01-01 | ||
| A2B Chem LLC | AF62884-10mg |
4-(Carboxymethyl)-2-ethoxybenzoic acid |
220438-80-2 | 98% | 10mg |
$587.00 | 2024-04-20 | |
| A2B Chem LLC | AF62884-25mg |
4-(Carboxymethyl)-2-ethoxybenzoic acid |
220438-80-2 | 98% | 25mg |
$998.00 | 2024-04-20 | |
| A2B Chem LLC | AF62884-100mg |
4-(Carboxymethyl)-2-ethoxybenzoic acid |
220438-80-2 | 98% | 100mg |
$1657.00 | 2024-04-20 |
(4-Carboxy-3-ethoxy)phenyl Acetic Acid Related Literature
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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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
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
Additional information on (4-Carboxy-3-ethoxy)phenyl Acetic Acid
Introduction to (4-Carboxy-3-ethoxy)phenyl Acetic Acid (CAS No. 220438-80-2)
(4-Carboxy-3-ethoxy)phenyl Acetic Acid, identified by its Chemical Abstracts Service (CAS) number 220438-80-2, is a specialized organic compound that has garnered significant attention in the field of pharmaceutical and biochemical research. This compound, featuring a phenyl ring substituted with both a carboxylic acid group and an ethoxy group, exhibits unique chemical properties that make it a valuable intermediate in the synthesis of various biologically active molecules.
The structural configuration of (4-Carboxy-3-ethoxy)phenyl Acetic Acid imparts it with the potential to interact with multiple biological targets, making it a promising candidate for drug development. The presence of the carboxylic acid moiety allows for facile coupling with amine-containing compounds, while the ethoxy group can influence electronic and steric properties, thereby modulating reactivity and binding affinity. These characteristics have positioned this compound as a key building block in the design of novel therapeutic agents.
Recent advancements in computational chemistry and molecular modeling have further highlighted the significance of (4-Carboxy-3-ethoxy)phenyl Acetic Acid in drug discovery. Studies have demonstrated that structural analogs derived from this compound exhibit inhibitory effects on various enzymes and receptors, suggesting potential applications in treating inflammatory diseases, metabolic disorders, and neurodegenerative conditions. The ability to fine-tune the pharmacophore by modifying substituents on the phenyl ring has opened up new avenues for developing more selective and potent drugs.
In vitro experiments have shown that derivatives of (4-Carboxy-3-ethoxy)phenyl Acetic Acid can modulate signaling pathways associated with cellular proliferation, differentiation, and apoptosis. For instance, certain analogs have been found to inhibit the activity of kinases involved in cancer progression, while others have demonstrated anti-inflammatory properties by interacting with cytokine receptors. These findings underscore the compound's versatility and its potential as a scaffold for developing next-generation therapeutics.
The synthesis of (4-Carboxy-3-ethoxy)phenyl Acetic Acid typically involves multi-step organic reactions, including esterification, hydrolysis, and aromatic substitution. Advanced synthetic methodologies, such as palladium-catalyzed cross-coupling reactions, have been employed to enhance yield and purity. These techniques ensure that the final product meets the stringent requirements for pharmaceutical applications, where high chemical purity is essential for efficacy and safety.
The pharmacokinetic profile of derivatives based on (4-Carboxy-3-ethoxy)phenyl Acetic Acid is another area of active research. Investigations into absorption, distribution, metabolism, and excretion (ADME) properties have revealed that structural modifications can significantly impact drug bioavailability and therapeutic window. By optimizing these parameters, researchers aim to develop compounds that exhibit improved pharmacological profiles, reducing side effects while maximizing therapeutic benefits.
Current clinical trials are exploring the efficacy of novel drug candidates derived from (4-Carboxy-3-ethoxy)phenyl Acetic Acid in treating conditions such as chronic pain syndromes and autoimmune disorders. Preliminary results indicate promising outcomes, with some formulations showing significant reductions in symptom severity without notable adverse effects. These trials not only validate the compound's potential but also provide critical data for regulatory approval processes.
The role of computational tools in optimizing derivatives of (4-Carboxy-3-ethoxy)phenyl Acetic Acid cannot be overstated. Machine learning algorithms and artificial intelligence (AI)-based platforms enable rapid screening of vast chemical libraries to identify lead compounds with desired properties. This approach accelerates the drug discovery pipeline, allowing researchers to focus on the most promising candidates for further development.
Environmental considerations also play a crucial role in the development and application of (4-Carboxy-3-ethoxy)phenyl Acetic Acid. Sustainable synthetic routes are being explored to minimize waste generation and reduce reliance on hazardous reagents. Green chemistry principles are being integrated into laboratory protocols to ensure that pharmaceutical production is both efficient and environmentally responsible.
In conclusion, (4-Carboxy-3-ethoxy)phenyl Acetic Acid (CAS No. 220438-80-2) represents a significant advancement in pharmaceutical chemistry. Its unique structural features and biological activities make it a versatile intermediate for developing novel therapeutic agents. Ongoing research continues to uncover new applications for this compound, reinforcing its importance in addressing global health challenges through innovative drug design.
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