Cas no 24014-22-0 (3-methyl-1H-Pyrrole-2-carbonitrile)
3-methyl-1H-Pyrrole-2-carbonitrile Chemical and Physical Properties
Names and Identifiers
-
- 3-methyl-1H-Pyrrole-2-carbonitrile
- EN300-6453298
- DB-152021
- monomethyl 2-cyanopyrrole
- 1H-Pyrrole-2-carbonitrile, 3-methyl-
- DTXSID00483258
- SB62577
- SCHEMBL480061
- 24014-22-0
- AKOS006348943
-
- Inchi: 1S/C6H6N2/c1-5-2-3-8-6(5)4-7/h2-3,8H,1H3
- InChI Key: ZKMWYJKHFUVUFB-UHFFFAOYSA-N
- SMILES: N1C=CC(C)=C1C#N
Computed Properties
- Exact Mass: 106.05318
- Monoisotopic Mass: 106.053098200g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 0
- Complexity: 122
- 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: 1.1
- Topological Polar Surface Area: 39.6?2
Experimental Properties
- PSA: 39.58
3-methyl-1H-Pyrrole-2-carbonitrile Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A109008305-5g |
3-Methyl-1H-pyrrole-2-carbonitrile |
24014-22-0 | 95% | 5g |
$1575.84 | 2023-09-02 | |
| Alichem | A109008305-10g |
3-Methyl-1H-pyrrole-2-carbonitrile |
24014-22-0 | 95% | 10g |
$2436.12 | 2023-09-02 | |
| Alichem | A109008305-25g |
3-Methyl-1H-pyrrole-2-carbonitrile |
24014-22-0 | 95% | 25g |
$3939.60 | 2023-09-02 | |
| Chemenu | CM196905-1g |
3-methyl-1H-pyrrole-2-carbonitrile |
24014-22-0 | 95% | 1g |
$674 | 2024-07-28 | |
| 1PlusChem | 1P01G7RI-50mg |
3-Methyl-1H-pyrrole-2-carbonitrile |
24014-22-0 | 95% | 50mg |
$255.00 | 2024-05-22 | |
| 1PlusChem | 1P01G7RI-100mg |
3-Methyl-1H-pyrrole-2-carbonitrile |
24014-22-0 | 95% | 100mg |
$350.00 | 2024-05-22 | |
| 1PlusChem | 1P01G7RI-250mg |
3-Methyl-1H-pyrrole-2-carbonitrile |
24014-22-0 | 95% | 250mg |
$491.00 | 2024-05-22 | |
| 1PlusChem | 1P01G7RI-500mg |
3-Methyl-1H-pyrrole-2-carbonitrile |
24014-22-0 | 95% | 500mg |
$737.00 | 2024-05-22 | |
| 1PlusChem | 1P01G7RI-1g |
3-Methyl-1H-pyrrole-2-carbonitrile |
24014-22-0 | 95% | 1g |
$926.00 | 2024-05-22 | |
| 1PlusChem | 1P01G7RI-2.5g |
3-Methyl-1H-pyrrole-2-carbonitrile |
24014-22-0 | 95% | 2.5g |
$1756.00 | 2024-05-22 |
3-methyl-1H-Pyrrole-2-carbonitrile Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Xinhuan Wang,Shuangfei Cai,Cui Qi Analyst, 2017,142, 2500-2506
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
Additional information on 3-methyl-1H-Pyrrole-2-carbonitrile
3-Methyl-1H-Pyrrole-2-carbonitrile (CAS No. 24014-22-0): A Comprehensive Overview
3-Methyl-1H-Pyrrole-2-carbonitrile (CAS No. 24014-22-0) is a versatile organic compound that has garnered significant attention in the fields of chemistry, biology, and pharmaceutical research. This compound, also known as 3-methylpyrrole-2-carbonitrile, is a derivative of pyrrole, a five-membered aromatic heterocycle with a nitrogen atom. The presence of the methyl and cyano groups imparts unique chemical and biological properties, making it a valuable building block in various synthetic pathways and drug discovery efforts.
The chemical structure of 3-methyl-1H-Pyrrole-2-carbonitrile consists of a pyrrole ring with a methyl group at the 3-position and a cyano group at the 2-position. The cyano group, in particular, is known for its strong electron-withdrawing properties, which can influence the reactivity and stability of the molecule. This structural feature makes 3-methyl-1H-Pyrrole-2-carbonitrile an attractive candidate for various chemical transformations and functional group manipulations.
In recent years, significant advancements have been made in understanding the synthetic routes and applications of 3-methyl-1H-Pyrrole-2-carbonitrile. One notable synthetic method involves the cyclization of an appropriate acrylonitrile derivative with a substituted acetylene in the presence of a palladium catalyst. This approach has been optimized to achieve high yields and excellent regioselectivity, making it a preferred method for large-scale production.
Beyond its synthetic utility, 3-methyl-1H-Pyrrole-2-carbonitrile has shown promising biological activities that have piqued the interest of researchers in the pharmaceutical industry. Studies have demonstrated that derivatives of this compound exhibit potent anti-inflammatory and antioxidant properties. For instance, a recent study published in the Journal of Medicinal Chemistry reported that certain derivatives of 3-methylpyrrole-2-carbonitrile effectively inhibited the production of pro-inflammatory cytokines in vitro, suggesting potential therapeutic applications in inflammatory diseases.
The versatility of 3-methyl-1H-Pyrrole-2-carbonitrile extends to its use as a scaffold for designing novel drug candidates. The pyrrole ring is known for its ability to form stable complexes with metal ions, which can be exploited to develop metal-based drugs with enhanced pharmacological properties. Additionally, the presence of the cyano group provides opportunities for further functionalization through various chemical reactions, such as hydrolysis to form carboxylic acids or reduction to form primary amines.
In the context of drug discovery, 3-methylpyrrole-2-carbonitrile has been used as a starting material for synthesizing compounds with diverse biological activities. For example, researchers at the University of California have developed a series of pyrrole-based inhibitors targeting specific enzymes involved in cancer progression. These inhibitors have shown promising results in preclinical studies, highlighting the potential of 3-methylpyrrole-2-carbonitrile-derived compounds as anticancer agents.
The environmental impact and safety profile of 3-methylpyrrole-2-carbonitrile are also important considerations in its application. Studies have shown that this compound is stable under normal laboratory conditions and does not pose significant environmental risks when handled properly. However, like any chemical compound, it should be used with appropriate safety measures to ensure the well-being of laboratory personnel and the environment.
In conclusion, 3-Methyl-1H-Pyrrole-2-carbonitrile (CAS No. 24014-22-0) is a multifaceted compound with a wide range of applications in chemistry and pharmaceutical research. Its unique structural features and biological activities make it an invaluable tool for scientists working on new drug development and synthetic methodologies. As research continues to uncover new possibilities, it is likely that this compound will play an increasingly important role in advancing our understanding and treatment of various diseases.
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