Cas no 91246-69-4 (ethyl 4-amino-2,5-dimethylbenzoate)
ethyl 4-amino-2,5-dimethylbenzoate Chemical and Physical Properties
Names and Identifiers
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- Benzoic acid,4-amino-2,5-dimethyl-, ethyl ester
- Benzoic acid, 4-amino-2,5-dimethyl-, ethyl ester (7CI)
- ethyl 4-amino-2,5-dimethylbenzoate
- DTXSID301296425
- EN300-8634459
- 91246-69-4
-
- MDL: MFCD20711023
- Inchi: 1S/C11H15NO2/c1-4-14-11(13)9-5-8(3)10(12)6-7(9)2/h5-6H,4,12H2,1-3H3
- InChI Key: YBHGNKLBMSXLEK-UHFFFAOYSA-N
- SMILES: O(CC)C(C1C=C(C)C(=CC=1C)N)=O
Computed Properties
- Exact Mass: 193.11
- Monoisotopic Mass: 193.11
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 206
- 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
- Topological Polar Surface Area: 52.3A^2
- XLogP3: 2.2
ethyl 4-amino-2,5-dimethylbenzoate Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-8634459-1g |
ethyl 4-amino-2,5-dimethylbenzoate |
91246-69-4 | 1g |
$541.0 | 2023-09-02 | ||
| Enamine | EN300-8634459-5g |
ethyl 4-amino-2,5-dimethylbenzoate |
91246-69-4 | 5g |
$1572.0 | 2023-09-02 | ||
| Enamine | EN300-8634459-10g |
ethyl 4-amino-2,5-dimethylbenzoate |
91246-69-4 | 10g |
$2331.0 | 2023-09-02 | ||
| Enamine | EN300-8634459-0.05g |
ethyl 4-amino-2,5-dimethylbenzoate |
91246-69-4 | 95.0% | 0.05g |
$455.0 | 2025-03-21 | |
| Enamine | EN300-8634459-0.1g |
ethyl 4-amino-2,5-dimethylbenzoate |
91246-69-4 | 95.0% | 0.1g |
$476.0 | 2025-03-21 | |
| Enamine | EN300-8634459-0.25g |
ethyl 4-amino-2,5-dimethylbenzoate |
91246-69-4 | 95.0% | 0.25g |
$498.0 | 2025-03-21 | |
| Enamine | EN300-8634459-0.5g |
ethyl 4-amino-2,5-dimethylbenzoate |
91246-69-4 | 95.0% | 0.5g |
$520.0 | 2025-03-21 | |
| Enamine | EN300-8634459-1.0g |
ethyl 4-amino-2,5-dimethylbenzoate |
91246-69-4 | 95.0% | 1.0g |
$541.0 | 2025-03-21 | |
| Enamine | EN300-8634459-2.5g |
ethyl 4-amino-2,5-dimethylbenzoate |
91246-69-4 | 95.0% | 2.5g |
$1063.0 | 2025-03-21 | |
| Enamine | EN300-8634459-5.0g |
ethyl 4-amino-2,5-dimethylbenzoate |
91246-69-4 | 95.0% | 5.0g |
$1572.0 | 2025-03-21 |
ethyl 4-amino-2,5-dimethylbenzoate Related Literature
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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Sandip Gangadhar Balwe,Yeon Tae Jeong Org. Biomol. Chem., 2018,16, 1287-1296
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
Additional information on ethyl 4-amino-2,5-dimethylbenzoate
Comprehensive Overview of Ethyl 4-Amino-2,5-Dimethylbenzoate (CAS No. 91246-69-4): Properties, Applications, and Industry Insights
Ethyl 4-amino-2,5-dimethylbenzoate (CAS No. 91246-69-4) is a specialized organic compound widely recognized for its versatile applications in pharmaceuticals, agrochemicals, and fine chemical synthesis. This ester derivative of 4-amino-2,5-dimethylbenzoic acid exhibits unique structural features, making it a valuable intermediate in research and industrial processes. With the growing demand for high-purity chemical intermediates, this compound has garnered significant attention from scientists and manufacturers alike.
The molecular structure of ethyl 4-amino-2,5-dimethylbenzoate incorporates both amino and ester functional groups, enabling diverse reactivity patterns. Its CAS No. 91246-69-4 serves as a critical identifier in regulatory documentation and supply chain management. Recent trends in green chemistry and sustainable synthesis have further highlighted the importance of optimizing production methods for such intermediates to minimize environmental impact.
In pharmaceutical applications, ethyl 4-amino-2,5-dimethylbenzoate is frequently employed as a building block for active pharmaceutical ingredients (APIs). Its structural motif is particularly relevant in the development of specialty drugs targeting neurological and metabolic disorders. The compound's stability and solubility profile make it suitable for drug formulation studies, addressing common challenges in bioavailability enhancement.
The agrochemical sector utilizes CAS No. 91246-69-4 as a precursor for crop protection agents, especially in formulations requiring selective herbicidal or fungicidal activity. With increasing global focus on precision agriculture, the demand for tailored intermediates like ethyl 4-amino-2,5-dimethylbenzoate continues to rise. Researchers are actively exploring its potential in developing next-generation pesticides with improved environmental profiles.
From a synthetic chemistry perspective, ethyl 4-amino-2,5-dimethylbenzoate offers multiple sites for functionalization, making it valuable for structure-activity relationship (SAR) studies. The compound's electron-rich aromatic system facilitates various electrophilic substitution reactions, while its ester group allows for straightforward transformations. These characteristics align well with current industry priorities in molecular diversification and library synthesis for drug discovery.
Quality control of CAS No. 91246-69-4 typically involves advanced analytical techniques such as HPLC, GC-MS, and NMR spectroscopy. The pharmaceutical industry particularly emphasizes stringent purity standards, often requiring ≥99% chemical purity for critical applications. Recent advancements in process analytical technology (PAT) have enabled more efficient monitoring of synthesis and purification processes for this compound.
Market analysis indicates steady growth in demand for ethyl 4-amino-2,5-dimethylbenzoate, driven by expansion in contract research organizations (CROs) and generic drug manufacturing. The compound's supply chain has adapted to meet evolving regulatory requirements across different regions, with particular attention to REACH compliance in European markets and FDA guidelines for pharmaceutical applications.
Emerging research explores novel applications of 91246-69-4 in material science, particularly as a precursor for functional polymers and organic electronic materials. The compound's aromatic amine functionality shows promise in developing conductive polymers and photovoltaic materials, aligning with renewable energy initiatives. Such interdisciplinary applications demonstrate the compound's potential beyond traditional chemical domains.
Storage and handling recommendations for ethyl 4-amino-2,5-dimethylbenzoate emphasize protection from moisture and oxidation, typically suggesting airtight containers under inert atmosphere. Proper material safety data sheets (MSDS) provide essential guidance for industrial users, reflecting the chemical industry's commitment to responsible stewardship and workplace safety standards.
The future outlook for CAS No. 91246-69-4 appears promising, with ongoing research into catalytic synthesis methods and biocatalytic alternatives that could improve production efficiency. As the chemical industry continues to prioritize atom economy and waste reduction, innovations in manufacturing ethyl 4-amino-2,5-dimethylbenzoate may serve as a model for sustainable intermediate production.
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