Cas no 1796-83-4 (3,4-dimethyl pyridine-3,4-dicarboxylate hydrochloride)
3,4-dimethyl pyridine-3,4-dicarboxylate hydrochloride Chemical and Physical Properties
Names and Identifiers
-
- Dimethyl pyridine-3,4-dicarboxylate
- 3,4-Pyridinedicarboxylic acid dimethyl ester
- 3,4-Pyridinedicarboxylic acid, 3,4-dimethyl ester
- Cinchomeronic acid, dimethyl ester
- Dimethyl 3,4-pyridinedicarboxylate
- 3,4-dimethyl pyridine-3,4-dicarboxylate hydrochloride
- DTXSID00170838
- 1796-83-4
- AS-67987
- 3,4-Pyridinedicarboxylic acid 3,4-dimethyl ester
- Q27236568
- A812471
- EN300-84950
- 3,4-dimethyl pyridine-3,4-dicarboxylate
- Cinchomeronic acid dimethyl ester [MI]
- BAA79683
- F2167-4113
- Dimethylpyridine-3,4-dicarboxylate
- MFCD00160293
- CS-0089822
- 3,4-Pyridinedicarboxylic acid, dimethyl ester
- UNII-0B88VPP2OQ
- SCHEMBL68952
- 0B88VPP2OQ
- Z1255356418
- SY193041
- AKOS015908988
- DTXCID7093329
- Cinchomeronic acid dimethyl ester
-
- MDL: MFCD00160293
- Inchi: 1S/C9H9NO4/c1-13-8(11)6-3-4-10-5-7(6)9(12)14-2/h3-5H,1-2H3
- InChI Key: AUQUSBAFIHOGHK-UHFFFAOYSA-N
- SMILES: O(C)C(C1C=CN=CC=1C(=O)OC)=O
Computed Properties
- Exact Mass: 195.05317
- Monoisotopic Mass: 195.05315777g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 229
- 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: 0.6
- Topological Polar Surface Area: 65.5?2
Experimental Properties
- PSA: 65.49
3,4-dimethyl pyridine-3,4-dicarboxylate hydrochloride Pricemore >>
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| Chemenu | CM173400-5g |
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| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | X55245-1g |
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| Alichem | A029191307-5g |
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3,4-dimethyl pyridine-3,4-dicarboxylate hydrochloride Related Literature
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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Jingquan Liu,Huiyun Liu,Zhongfan Jia,Volga Bulmus,Thomas P. Davis Chem. Commun., 2008, 6582-6584
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Additional information on 3,4-dimethyl pyridine-3,4-dicarboxylate hydrochloride
Comprehensive Overview of 3,4-dimethyl pyridine-3,4-dicarboxylate hydrochloride (CAS No. 1796-83-4)
3,4-dimethyl pyridine-3,4-dicarboxylate hydrochloride (CAS No. 1796-83-4) is a specialized organic compound with significant applications in pharmaceutical and chemical research. This compound, often abbreviated as DMPDC hydrochloride, belongs to the pyridine derivative family and is widely recognized for its role as an intermediate in synthesizing bioactive molecules. Its unique structural features, including the presence of dicarboxylate and dimethyl groups, make it a valuable building block in medicinal chemistry and material science.
In recent years, the demand for pyridine derivatives has surged due to their versatility in drug discovery and agrochemical development. Researchers are particularly interested in 3,4-dimethyl pyridine-3,4-dicarboxylate hydrochloride for its potential in designing novel enzyme inhibitors and receptor modulators. The compound's hydrochloride salt form enhances its solubility, making it suitable for various experimental conditions. This property aligns with the growing trend of optimizing drug candidates for improved bioavailability, a hot topic in modern pharmacology.
The synthesis of 3,4-dimethyl pyridine-3,4-dicarboxylate hydrochloride involves multi-step organic reactions, often starting from readily available pyridine precursors. Advanced techniques like HPLC and NMR spectroscopy are employed to ensure high purity, which is critical for research reproducibility—a key concern in academic and industrial labs. With the rise of AI-driven drug discovery, compounds like this are increasingly analyzed using computational models to predict their interactions with biological targets, further accelerating R&D timelines.
From an environmental perspective, the compound's stability and low volatility make it a preferable choice for sustainable chemistry initiatives. Its applications extend to catalysis and coordination chemistry, where it acts as a ligand for metal complexes. These attributes resonate with the global push toward greener synthetic methodologies, a frequently searched topic among chemists and environmental scientists.
In summary, 3,4-dimethyl pyridine-3,4-dicarboxylate hydrochloride (CAS No. 1796-83-4) exemplifies the intersection of innovation and practicality in chemical research. Its relevance to drug development, material science, and green chemistry ensures its continued prominence in scientific literature and industrial applications. As research evolves, this compound is poised to play a pivotal role in addressing challenges across multiple disciplines.
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