Cas no 28045-71-8 (1,3-Benzenedicarboxylic acid, 4-methoxy-, 3-methyl ester)
1,3-Benzenedicarboxylic acid, 4-methoxy-, 3-methyl ester Chemical and Physical Properties
Names and Identifiers
-
- 1,3-Benzenedicarboxylic acid, 4-methoxy-, 3-methyl ester
- 4-methoxy-3-methoxycarbonylbenzoate
- EN300-379244
- SCHEMBL5168276
- 28045-71-8
- MFCD24480389
- JIWBFQWPLSWTBT-UHFFFAOYSA-N
- F96652
- 4-Methoxy-1,3-benzenedicarboxylic acid 3-monomethyl ester
- 4-METHOXY-3-(METHOXYCARBONYL)BENZOIC ACID
- SY333136
- 4-methoxy-3-methoxycarbonylbenzoic acid
-
- Inchi: 1S/C10H10O5/c1-14-8-4-3-6(9(11)12)5-7(8)10(13)15-2/h3-5H,1-2H3,(H,11,12)
- InChI Key: JIWBFQWPLSWTBT-UHFFFAOYSA-N
- SMILES: COC(C1C(OC)=CC=C(C(=O)O)C=1)=O
Computed Properties
- Exact Mass: 209.04497
- Monoisotopic Mass: 210.05282342g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 250
- 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: 1.6
- Topological Polar Surface Area: 72.8?2
Experimental Properties
- PSA: 75.66
1,3-Benzenedicarboxylic acid, 4-methoxy-, 3-methyl ester Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-379244-0.05g |
4-methoxy-3-(methoxycarbonyl)benzoic acid |
28045-71-8 | 95% | 0.05g |
$347.0 | 2023-03-02 | |
| Enamine | EN300-379244-0.1g |
4-methoxy-3-(methoxycarbonyl)benzoic acid |
28045-71-8 | 95% | 0.1g |
$518.0 | 2023-03-02 | |
| Enamine | EN300-379244-0.25g |
4-methoxy-3-(methoxycarbonyl)benzoic acid |
28045-71-8 | 95% | 0.25g |
$743.0 | 2023-03-02 | |
| Enamine | EN300-379244-0.5g |
4-methoxy-3-(methoxycarbonyl)benzoic acid |
28045-71-8 | 95% | 0.5g |
$1170.0 | 2023-03-02 | |
| Enamine | EN300-379244-1.0g |
4-methoxy-3-(methoxycarbonyl)benzoic acid |
28045-71-8 | 95% | 1g |
$0.0 | 2023-06-06 | |
| Enamine | EN300-379244-2.5g |
4-methoxy-3-(methoxycarbonyl)benzoic acid |
28045-71-8 | 95% | 2.5g |
$2940.0 | 2023-03-02 | |
| Enamine | EN300-379244-5.0g |
4-methoxy-3-(methoxycarbonyl)benzoic acid |
28045-71-8 | 95% | 5.0g |
$4349.0 | 2023-03-02 | |
| Enamine | EN300-379244-10.0g |
4-methoxy-3-(methoxycarbonyl)benzoic acid |
28045-71-8 | 95% | 10.0g |
$6450.0 | 2023-03-02 | |
| 1PlusChem | 1P01G8N9-50mg |
1,3-Benzenedicarboxylic acid, 4-methoxy-, 3-methyl ester |
28045-71-8 | 95% | 50mg |
$300.00 | 2024-05-07 | |
| 1PlusChem | 1P01G8N9-100mg |
1,3-Benzenedicarboxylic acid, 4-methoxy-, 3-methyl ester |
28045-71-8 | 95% | 100mg |
$418.00 | 2024-05-07 |
1,3-Benzenedicarboxylic acid, 4-methoxy-, 3-methyl ester Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
Additional information on 1,3-Benzenedicarboxylic acid, 4-methoxy-, 3-methyl ester
Comprehensive Overview of 1,3-Benzenedicarboxylic acid, 4-methoxy-, 3-methyl ester (CAS No. 28045-71-8)
1,3-Benzenedicarboxylic acid, 4-methoxy-, 3-methyl ester (CAS No. 28045-71-8) is a specialized organic compound widely utilized in the synthesis of advanced materials, pharmaceuticals, and fine chemicals. This compound, characterized by its methoxy and methyl ester functional groups, plays a pivotal role in modern chemical research and industrial applications. Its unique molecular structure, combining aromaticity with ester and ether functionalities, makes it a versatile intermediate in organic synthesis.
The growing interest in sustainable chemistry and green synthesis has propelled the demand for compounds like 1,3-Benzenedicarboxylic acid, 4-methoxy-, 3-methyl ester. Researchers are increasingly exploring its potential in biodegradable polymers and eco-friendly coatings, aligning with global trends toward environmental sustainability. Its compatibility with renewable feedstocks further enhances its appeal in green chemistry initiatives.
In the pharmaceutical sector, 1,3-Benzenedicarboxylic acid, 4-methoxy-, 3-methyl ester is investigated for its role in drug delivery systems and bioactive molecule synthesis. Its structural features enable precise modifications, making it valuable for designing targeted therapeutics. Recent studies highlight its potential in cancer research and anti-inflammatory agents, addressing some of the most pressing medical challenges today.
The compound's applications extend to the cosmetics industry, where it is used as a stabilizer or fragrance precursor. With consumers increasingly prioritizing clean beauty and non-toxic ingredients, 1,3-Benzenedicarboxylic acid, 4-methoxy-, 3-methyl ester offers a balance of performance and safety. Its mild chemical properties make it suitable for sensitive formulations, meeting stringent regulatory standards.
From a technical perspective, the synthesis of 1,3-Benzenedicarboxylic acid, 4-methoxy-, 3-methyl ester involves esterification and etherification reactions, often catalyzed by heterogeneous catalysts to improve yield and selectivity. Advances in catalytic technologies have streamlined its production, reducing energy consumption and waste generation. These innovations align with the broader shift toward circular economy principles in chemical manufacturing.
Analytical techniques such as HPLC, NMR spectroscopy, and mass spectrometry are essential for characterizing 1,3-Benzenedicarboxylic acid, 4-methoxy-, 3-methyl ester, ensuring purity and consistency. Quality control is critical, particularly for applications in high-performance materials and life sciences, where even minor impurities can impact performance.
In summary, 1,3-Benzenedicarboxylic acid, 4-methoxy-, 3-methyl ester (CAS No. 28045-71-8) is a multifaceted compound with significant relevance across industries. Its adaptability to sustainable practices, coupled with its diverse applications, positions it as a key player in the future of specialty chemicals. As research continues to uncover new possibilities, this compound is poised to address emerging challenges in material science, healthcare, and environmental technology.
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