Cas no 91591-59-2 (2-hydroxy-4,5,6-trimethylpyridine-3-carbonitrile)
2-hydroxy-4,5,6-trimethylpyridine-3-carbonitrile Chemical and Physical Properties
Names and Identifiers
-
- 3-Pyridinecarbonitrile,1,2-dihydro-4,5,6-trimethyl-2-oxo-
- 2-Hydroxy-4,5,6-trimethylnicotinonitrile
- 4,5,6-trimethyl-2-oxo-1H-pyridine-3-carbonitrile
- 2-hydroxy-4,5,6-trimethyl-nicotinonitrile
- 2-hydroxy-4,5,6-trimethylpyridine-3-carbonitrile
- 4,5,6-trimethyl-2-oxo-1,2-dihydropyridine-3-carbonitrile
- 4,5,6-trimethyl-2-oxohydropyridine-3-carbonitrile
- 3-pyridinecarbonitrile, 1,2-dihydro-4,5,6-trimethyl-2-oxo-
- ATHBJRFQFOFPLV-UHFFFAOYSA-N
- AS-8165
- D76979
- MFCD00457738
- InChI=1/C9H10N2O/c1-5-6(2)8(4-10)9(12)11-7(5)3/h1-3H3,(H,11,12
- Z3235073426
- CS-0110130
- DTXSID40349026
- 3-cyano-4,5,6-trimethylpyrid-2-one
- MFCD00052650
- AKOS016052561
- SCHEMBL3797196
- AKOS000276398
- EN300-256150
- 91591-59-2
- STK027157
- STL328977
-
- MDL: MFCD00052650
- Inchi: 1S/C9H10N2O/c1-5-6(2)8(4-10)9(12)11-7(5)3/h1-3H3,(H,11,12)
- InChI Key: ATHBJRFQFOFPLV-UHFFFAOYSA-N
- SMILES: O=C1C(C#N)=C(C)C(C)=C(C)N1
Computed Properties
- Exact Mass: 162.07900
- Monoisotopic Mass: 162.079312947g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 12
- Rotatable Bond Count: 0
- Complexity: 352
- 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: 0.3
- Topological Polar Surface Area: 52.9?2
Experimental Properties
- PSA: 56.91000
- LogP: 1.58408
2-hydroxy-4,5,6-trimethylpyridine-3-carbonitrile Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Apollo Scientific | OR27042-1g |
2-hydroxy-4,5,6-trimethylnicotinonitrile |
91591-59-2 | 1g |
£235.00 | 2025-02-19 | ||
| abcr | AB242509-1 g |
2-Hydroxy-4,5,6-trimethylnicotinonitrile |
91591-59-2 | 1g |
€312.50 | 2023-04-27 | ||
| abcr | AB242509-5 g |
2-Hydroxy-4,5,6-trimethylnicotinonitrile |
91591-59-2 | 5g |
€770.00 | 2023-04-27 | ||
| Enamine | EN300-256150-0.1g |
2-hydroxy-4,5,6-trimethylpyridine-3-carbonitrile |
91591-59-2 | 95.0% | 0.1g |
$42.0 | 2025-02-20 | |
| Enamine | EN300-256150-0.25g |
2-hydroxy-4,5,6-trimethylpyridine-3-carbonitrile |
91591-59-2 | 95.0% | 0.25g |
$61.0 | 2025-02-20 | |
| Enamine | EN300-256150-0.5g |
2-hydroxy-4,5,6-trimethylpyridine-3-carbonitrile |
91591-59-2 | 95.0% | 0.5g |
$108.0 | 2025-02-20 | |
| Enamine | EN300-256150-1.0g |
2-hydroxy-4,5,6-trimethylpyridine-3-carbonitrile |
91591-59-2 | 95.0% | 1.0g |
$169.0 | 2025-02-20 | |
| Enamine | EN300-256150-2.5g |
2-hydroxy-4,5,6-trimethylpyridine-3-carbonitrile |
91591-59-2 | 95.0% | 2.5g |
$332.0 | 2025-02-20 | |
| Enamine | EN300-256150-5.0g |
2-hydroxy-4,5,6-trimethylpyridine-3-carbonitrile |
91591-59-2 | 95.0% | 5.0g |
$493.0 | 2025-02-20 | |
| Enamine | EN300-256150-10.0g |
2-hydroxy-4,5,6-trimethylpyridine-3-carbonitrile |
91591-59-2 | 95.0% | 10.0g |
$733.0 | 2025-02-20 |
2-hydroxy-4,5,6-trimethylpyridine-3-carbonitrile Related Literature
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Ying Li,Weirong Yao,Yunfei Xie,Renjun Pei RSC Adv., 2015,5, 98724-98729
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Kathrin Kutlescha,Rhett Kempe New J. Chem., 2010,34, 1954-1960
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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Fuming Xiao,Mengzhu Wang,Yunxiang Lei,Wenbo Dai,Yunbing Zhou,Miaochang Liu,Wenxia Gao,Xiaobo Huang,Huayue Wu J. Mater. Chem. C, 2020,8, 17410-17416
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David B. Cordes,Alexandra M. Z. Slawin,Stefania Righetto,Denis Jacquemin,Eli Zysman-Colman,Véronique Guerchais Dalton Trans., 2018,47, 8292-8300
Additional information on 2-hydroxy-4,5,6-trimethylpyridine-3-carbonitrile
2-Hydroxy-4,5,6-trimethylpyridine-3-carbonitrile (CAS No. 91591-59-2): A Versatile Chemical Intermediate
2-Hydroxy-4,5,6-trimethylpyridine-3-carbonitrile (CAS No. 91591-59-2) is a specialized organic compound that has gained significant attention in pharmaceutical and agrochemical research. This pyridine derivative serves as a crucial building block in the synthesis of various bioactive molecules, making it particularly valuable in medicinal chemistry applications.
The molecular structure of 2-hydroxy-4,5,6-trimethylpyridine-3-carbonitrile features a hydroxyl group at the 2-position and a nitrile group at the 3-position of the pyridine ring, with three methyl groups providing steric and electronic effects. This unique arrangement contributes to its reactivity and makes it an excellent intermediate for heterocyclic compound synthesis, a topic frequently searched by organic chemists in academic and industrial settings.
Recent studies highlight the growing importance of pyridine-based compounds in drug discovery, with particular interest in their potential as kinase inhibitors and antimicrobial agents. The trimethylpyridine carbonitrile structure offers multiple sites for further functionalization, allowing medicinal chemists to create diverse molecular libraries for high-throughput screening. This aligns with current pharmaceutical industry trends toward fragment-based drug design and targeted therapies.
In material science applications, 2-hydroxy-4,5,6-trimethylpyridine-3-carbonitrile has shown promise as a precursor for coordination complexes and ligand systems. Researchers investigating metal-organic frameworks (MOFs) and catalytic systems frequently search for such specialized pyridine derivatives, as evidenced by increasing academic publications and patent filings in this domain.
The compound's nitrile functionality provides an important handle for further chemical transformations, including hydrolysis to carboxylic acids or reduction to primary amines. These transformations are commonly explored in process chemistry optimization, a subject of great interest to pharmaceutical manufacturers seeking to improve synthetic routes and reduce production costs.
Analytical characterization of 2-hydroxy-4,5,6-trimethylpyridine-3-carbonitrile typically involves techniques such as HPLC purity analysis, mass spectrometry, and NMR spectroscopy. These quality control aspects are frequently searched by quality assurance professionals in the fine chemical industry, reflecting the compound's commercial importance.
From a regulatory perspective, proper handling and storage of pyridine-3-carbonitrile derivatives require standard laboratory safety protocols. While not classified as hazardous under normal conditions, researchers often search for material safety data and handling recommendations when working with such specialized intermediates.
The global market for functionalized pyridine compounds continues to expand, driven by demand from the pharmaceutical and agricultural sectors. Market analysis reports indicate growing interest in multisubstituted pyridine derivatives like 2-hydroxy-4,5,6-trimethylpyridine-3-carbonitrile, particularly in regions with strong generic drug manufacturing capabilities.
Recent synthetic methodology developments have improved access to hydroxy-trimethylpyridine carbonitriles, with several published routes offering advantages in yield, purity, and environmental impact. These advancements respond to the chemical industry's focus on green chemistry principles and sustainable manufacturing processes.
In conclusion, 2-hydroxy-4,5,6-trimethylpyridine-3-carbonitrile (CAS No. 91591-59-2) represents an important class of nitrogen-containing heterocycles with broad utility in life sciences and materials research. Its structural features and synthetic versatility continue to make it a valuable target for chemical suppliers and research institutions worldwide.
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