Cas no 830330-33-1 (4-Methyl-2-phenylthiazole-5-carbonitrile)
4-Methyl-2-phenylthiazole-5-carbonitrile Chemical and Physical Properties
Names and Identifiers
-
- 4-Methyl-2-phenylthiazole-5-carbonitrile
- 4-Methyl-2-phenyl-1,3-thiazole-5-carbonitrile
- 5-Thiazolecarbonitrile,4-methyl-2-phenyl-
- AKOS016846048
- 830330-33-1
- MFCD05664409
- TS-02839
- DTXSID70383716
- CS-0317139
-
- MDL: MFCD05664409
- Inchi: 1S/C11H8N2S/c1-8-10(7-12)14-11(13-8)9-5-3-2-4-6-9/h2-6H,1H3
- InChI Key: KCPBBFJBDVUEIO-UHFFFAOYSA-N
- SMILES: S1C(C#N)=C(C)N=C1C1C=CC=CC=1
Computed Properties
- Exact Mass: 200.04100
- Monoisotopic Mass: 200.04081944g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 1
- Complexity: 239
- 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: 3.1
- Topological Polar Surface Area: 64.9?2
Experimental Properties
- PSA: 64.92000
- LogP: 2.99018
4-Methyl-2-phenylthiazole-5-carbonitrile Customs Data
- HS CODE:2934100090
- Customs Data:
China Customs Code:
2934100090Overview:
2934100090. Compounds that structurally contain a non fused thiazole ring(Whether hydrogenated or not). VAT:17.0%. Tax refund rate:9.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%
Declaration elements:
Product Name, component content, use to
Summary:
2934100090 other compounds containing an unfused thiazole ring (whether or not hydrogenated) in the structure VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:20.0%
4-Methyl-2-phenylthiazole-5-carbonitrile Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 068618-1g |
4-Methyl-2-phenyl-1,3-thiazole-5-carbonitrile |
830330-33-1 | 97% | 1g |
£80.00 | 2022-03-01 | |
| Fluorochem | 068618-5g |
4-Methyl-2-phenyl-1,3-thiazole-5-carbonitrile |
830330-33-1 | 97% | 5g |
£320.00 | 2022-03-01 | |
| Alichem | A059003589-5g |
4-Methyl-2-phenylthiazole-5-carbonitrile |
830330-33-1 | 95% | 5g |
$1157.76 | 2023-09-01 | |
| Alichem | A059003589-10g |
4-Methyl-2-phenylthiazole-5-carbonitrile |
830330-33-1 | 95% | 10g |
$1656.24 | 2023-09-01 | |
| Alichem | A059003589-25g |
4-Methyl-2-phenylthiazole-5-carbonitrile |
830330-33-1 | 95% | 25g |
$2706.80 | 2023-09-01 | |
| Chemenu | CM189411-5g |
4-Methyl-2-phenyl-1,3-thiazole-5-carbonitrile |
830330-33-1 | 95% | 5g |
$473 | 2021-08-05 | |
| Apollo Scientific | OR110680-1g |
4-Methyl-2-phenyl-1,3-thiazole-5-carbonitrile |
830330-33-1 | 1g |
£85.00 | 2025-02-19 | ||
| Apollo Scientific | OR110680-5g |
4-Methyl-2-phenyl-1,3-thiazole-5-carbonitrile |
830330-33-1 | 5g |
£340.00 | 2025-02-19 | ||
| Chemenu | CM189411-1g |
4-Methyl-2-phenyl-1,3-thiazole-5-carbonitrile |
830330-33-1 | 95% | 1g |
$198 | 2023-02-17 | |
| abcr | AB419087-1 g |
4-Methyl-2-phenyl-1,3-thiazole-5-carbonitrile |
830330-33-1 | 1g |
€129.50 | 2023-06-16 |
4-Methyl-2-phenylthiazole-5-carbonitrile Related Literature
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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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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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
Additional information on 4-Methyl-2-phenylthiazole-5-carbonitrile
Comprehensive Overview of 4-Methyl-2-phenylthiazole-5-carbonitrile (CAS No. 830330-33-1): Properties, Applications, and Market Insights
4-Methyl-2-phenylthiazole-5-carbonitrile (CAS No. 830330-33-1) is a specialized organic compound that has garnered significant attention in pharmaceutical and agrochemical research. This heterocyclic molecule, featuring a thiazole ring core substituted with a methyl group, a phenyl ring, and a carbonitrile functional group, exhibits unique chemical properties that make it valuable for various industrial applications. Researchers and manufacturers are increasingly interested in this compound due to its potential as a building block for bioactive molecules.
The molecular structure of 4-Methyl-2-phenylthiazole-5-carbonitrile combines aromatic and heterocyclic characteristics, giving it distinct electronic properties that influence its reactivity. The presence of the carbonitrile group at the 5-position of the thiazole ring makes this compound particularly useful as an intermediate in organic synthesis. Current trends in drug discovery highlight the importance of such nitrile-containing heterocycles, as they often serve as key pharmacophores in medicinal chemistry.
In pharmaceutical applications, 4-Methyl-2-phenylthiazole-5-carbonitrile has shown promise as a precursor for developing novel therapeutic agents. The thiazole scaffold is known to exhibit diverse biological activities, and researchers are exploring derivatives of this compound for potential antimicrobial, anti-inflammatory, and anticancer properties. Recent studies published in journals like the European Journal of Medicinal Chemistry have highlighted the importance of thiazole derivatives in addressing antibiotic resistance, a major global health concern.
The agrochemical industry also utilizes 4-Methyl-2-phenylthiazole-5-carbonitrile in the development of new crop protection agents. With increasing demand for sustainable agriculture solutions, this compound's derivatives are being investigated for their potential as fungicides and insecticides. The nitrile group in particular contributes to the biological activity of these agrochemicals, making them effective at lower application rates while maintaining environmental safety profiles.
From a synthetic chemistry perspective, 4-Methyl-2-phenylthiazole-5-carbonitrile serves as a versatile intermediate. Its electron-deficient thiazole ring allows for various nucleophilic substitution reactions, while the phenyl group provides opportunities for further functionalization through electrophilic aromatic substitution. These characteristics make it valuable for creating diverse molecular architectures in drug discovery programs.
The global market for thiazole-based compounds like 4-Methyl-2-phenylthiazole-5-carbonitrile is experiencing steady growth, driven by increasing R&D investments in pharmaceutical and agricultural sectors. Market analysts project particular demand growth in Asia-Pacific regions, where pharmaceutical innovation is accelerating. Suppliers specializing in heterocyclic building blocks are expanding their portfolios to include high-purity versions of this compound to meet researcher needs.
Quality control is crucial for 4-Methyl-2-phenylthiazole-5-carbonitrile applications, especially in pharmaceutical contexts. Analytical techniques such as HPLC, NMR spectroscopy, and mass spectrometry are routinely employed to verify the purity and identity of this compound. Manufacturers focusing on high-purity chemical intermediates are implementing stringent quality assurance protocols to ensure batch-to-batch consistency.
Recent advancements in synthetic methodologies have improved the production efficiency of 4-Methyl-2-phenylthiazole-5-carbonitrile. Green chemistry approaches, including catalyst optimization and solvent selection, are being applied to reduce the environmental impact of its synthesis. These developments align with the pharmaceutical industry's growing emphasis on sustainable manufacturing practices.
Storage and handling recommendations for 4-Methyl-2-phenylthiazole-5-carbonitrile typically include protection from moisture and storage in cool, dry conditions. While not classified as hazardous under standard regulations, proper laboratory safety protocols should always be followed when working with this chemical compound. Material Safety Data Sheets (MSDS) provide detailed guidance for safe handling procedures.
Future research directions for 4-Methyl-2-phenylthiazole-5-carbonitrile may explore its potential in materials science applications. The thiazole core's electronic properties make it interesting for organic electronic materials, including potential use in organic light-emitting diodes (OLEDs) or photovoltaic devices. As the demand for specialty chemicals grows across multiple industries, this compound's versatility positions it for continued scientific and commercial interest.
Academic and industrial researchers frequently search for information about thiazole derivatives synthesis, nitrile-containing heterocycles applications, and pharmaceutical intermediates market trends - all topics relevant to understanding 4-Methyl-2-phenylthiazole-5-carbonitrile. The compound's unique structural features and broad utility ensure its ongoing importance in chemical research and development across multiple disciplines.
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