Cas no 192632-34-1 (3-(Methylamino)benzoic Acid Ethyl Ester)
3-(Methylamino)benzoic Acid Ethyl Ester Chemical and Physical Properties
Names and Identifiers
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- Benzoic acid, 3-(methylamino)-, ethyl ester
- ethyl 3-(methylamino)benzoate
- AKOS012392074
- DTXSID30465729
- 192632-34-1
- SCHEMBL584215
- ethyl3-(methylamino)benzoate
- EN300-132876
- 3-(Methylamino)benzoic Acid Ethyl Ester
-
- Inchi: 1S/C10H13NO2/c1-3-13-10(12)8-5-4-6-9(7-8)11-2/h4-7,11H,3H2,1-2H3
- InChI Key: TZBSDSALNYZBHA-UHFFFAOYSA-N
- SMILES: O(CC)C(C1C=CC=C(C=1)NC)=O
Computed Properties
- Exact Mass: 179.09469
- Monoisotopic Mass: 179.094628657g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 170
- 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: 2.5
- Topological Polar Surface Area: 38.3?2
Experimental Properties
- PSA: 38.33
3-(Methylamino)benzoic Acid Ethyl Ester Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| TRC | B115283-10mg |
3-(Methylamino)benzoic Acid Ethyl Ester |
192632-34-1 | 10mg |
$ 50.00 | 2022-06-07 | ||
| TRC | B115283-50mg |
3-(Methylamino)benzoic Acid Ethyl Ester |
192632-34-1 | 50mg |
$ 160.00 | 2022-06-07 | ||
| TRC | B115283-100mg |
3-(Methylamino)benzoic Acid Ethyl Ester |
192632-34-1 | 100mg |
$ 250.00 | 2022-06-07 | ||
| Enamine | EN300-132876-0.05g |
ethyl 3-(methylamino)benzoate |
192632-34-1 | 0.05g |
$76.0 | 2023-06-08 | ||
| Enamine | EN300-132876-0.1g |
ethyl 3-(methylamino)benzoate |
192632-34-1 | 0.1g |
$113.0 | 2023-06-08 | ||
| Enamine | EN300-132876-0.25g |
ethyl 3-(methylamino)benzoate |
192632-34-1 | 0.25g |
$162.0 | 2023-06-08 | ||
| Enamine | EN300-132876-0.5g |
ethyl 3-(methylamino)benzoate |
192632-34-1 | 0.5g |
$310.0 | 2023-06-08 | ||
| Enamine | EN300-132876-1.0g |
ethyl 3-(methylamino)benzoate |
192632-34-1 | 1g |
$414.0 | 2023-06-08 | ||
| Enamine | EN300-132876-2.5g |
ethyl 3-(methylamino)benzoate |
192632-34-1 | 2.5g |
$810.0 | 2023-06-08 | ||
| Enamine | EN300-132876-5.0g |
ethyl 3-(methylamino)benzoate |
192632-34-1 | 5g |
$1199.0 | 2023-06-08 |
3-(Methylamino)benzoic Acid Ethyl Ester Related Literature
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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Jianyao Huang,Dong Gao,Zhihui Chen,Weifeng Zhang Polym. Chem., 2021,12, 2471-2480
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
Additional information on 3-(Methylamino)benzoic Acid Ethyl Ester
Comprehensive Overview of 3-(Methylamino)benzoic Acid Ethyl Ester (CAS No. 192632-34-1): Properties, Applications, and Industry Insights
3-(Methylamino)benzoic Acid Ethyl Ester (CAS No. 192632-34-1) is a specialized organic compound with a molecular formula of C10H13NO2. This ester derivative, featuring a methylamino substituent, has garnered attention in pharmaceutical and agrochemical research due to its unique structural properties. The compound's ethyl ester moiety enhances its lipophilicity, making it a valuable intermediate in synthetic chemistry.
Recent trends in AI-driven drug discovery and green chemistry have amplified interest in compounds like 3-(Methylamino)benzoic Acid Ethyl Ester. Researchers frequently search for "esterification optimization techniques" or "bioactive benzoic acid derivatives," reflecting the compound's relevance in modern synthetic workflows. Its CAS No. 192632-34-1 serves as a critical identifier in patent literature and regulatory documentation.
The compound's physicochemical properties include a molecular weight of 179.22 g/mol and a characteristic aromatic ring system. Its methylamino group contributes to hydrogen bonding potential, while the ethyl ester functionality offers reactivity in transesterification reactions. These features align with current industry demands for "multifunctional synthetic building blocks" and "scalable intermediate synthesis," as evidenced by search engine query patterns.
In pharmaceutical applications, 3-(Methylamino)benzoic Acid Ethyl Ester has shown promise as a precursor in the development of central nervous system (CNS) active compounds. The methylamino modification is particularly interesting for researchers investigating "blood-brain barrier permeability enhancers." Analytical techniques such as HPLC-MS and NMR spectroscopy are commonly employed for quality control, addressing frequent queries about "ester compound characterization methods."
The agrochemical sector utilizes this compound in the synthesis of novel pesticide intermediates, responding to growing concerns about "environmentally friendly crop protection" solutions. Its benzoic acid core structure provides a versatile platform for derivatization, meeting demands for "low-persistence agricultural chemicals" – a trending topic in sustainable agriculture discussions.
From a regulatory perspective, proper handling of CAS No. 192632-34-1 requires standard laboratory safety protocols. While not classified as hazardous, researchers often search for "benzoic acid ester storage conditions" and "methylamino compound stability," emphasizing the need for technical guidance. The compound typically appears as a white to off-white crystalline powder with defined melting point characteristics.
Industrial-scale production of 3-(Methylamino)benzoic Acid Ethyl Ester involves catalytic esterification processes, with recent innovations focusing on "solvent-free synthesis routes" – a hot topic in process chemistry. Quality specifications often include parameters like HPLC purity (>98%) and residual solvent limits, addressing common purchaser inquiries about "pharmaceutical-grade ester compounds."
Emerging research explores the compound's potential in material science applications, particularly as a monomer for specialty polymers. This aligns with growing interest in "functionalized aromatic monomers" for advanced materials. The ethyl ester group's reactivity enables diverse post-modification possibilities, making it valuable for "click chemistry applications" – another frequently searched term in synthetic chemistry databases.
Analytical reference standards of CAS No. 192632-34-1 are increasingly demanded for method validation in quality control laboratories. This reflects broader industry trends toward "analytical method compliance" and "impurity profiling." The compound's well-defined spectroscopic fingerprints facilitate its identification in complex matrices.
In conclusion, 3-(Methylamino)benzoic Acid Ethyl Ester represents a versatile chemical entity with expanding applications across multiple industries. Its CAS No. 192632-34-1 serves as an essential identifier for researchers investigating "structure-activity relationships" in medicinal chemistry or developing "sustainable synthetic methodologies." As industry priorities shift toward green chemistry and atom-efficient synthesis, this compound's strategic importance continues to grow.
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