Cas no 53882-93-2 (Benzenepropanenitrile,2,5-dimethyl-b-oxo-)
Benzenepropanenitrile,2,5-dimethyl-b-oxo- Chemical and Physical Properties
Names and Identifiers
-
- Benzenepropanenitrile,2,5-dimethyl-b-oxo-
- 2,5-Dimethylbenzoylacetonitrile
- 3-(2,5-dimethylphenyl)-3-oxopropanenitrile
- 2,4-DIMETHYLPHENYLBORONIC ACID
- 2-cyano-2',5'-dimethylacetophenone
- Benzenepropanenitrile,2,5-dimethyl-b-oxo
- FT-0604182
- 53882-93-2
- SCHEMBL7572263
- A7826
- MFCD02260824
- WBEDLANIZRGOMS-UHFFFAOYSA-N
- DTXSID80579209
- AKOS000185442
- AB93045
- CS-0453402
- C78292
-
- MDL： MFCD02260824
- Inchi： 1S/C11H11NO/c1-8-3-4-9(2)10(7-8)11(13)5-6-12/h3-4,7H,5H2,1-2H3
- InChI Key： WBEDLANIZRGOMS-UHFFFAOYSA-N
- SMILES： O=C(CC#N)C1C=C(C)C=CC=1C
Computed Properties
- Exact Mass: 173.08400
- Monoisotopic Mass: 173.084063974g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 238
- 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: 2.2
- Topological Polar Surface Area: 40.9?2
Experimental Properties
- Density: 1.06
- Boiling Point: 330.7°C at 760 mmHg
- Flash Point: 153.8°C
- Refractive Index: 1.53
- PSA: 40.86000
- LogP: 2.39978
Benzenepropanenitrile,2,5-dimethyl-b-oxo- Customs Data
- HS CODE：2926909090
- Customs Data：
China Customs Code:
2926909090Overview:
2926909090 Other nitrile based compounds. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%
Declaration elements:
Product Name, component content, use to
Summary:
HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%
Benzenepropanenitrile,2,5-dimethyl-b-oxo- Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 207002-1g |
2,5-Dimethylbenzoylacetonitrile |
53882-93-2 | 97% | 1g |
￡277.00 | 2022-03-01 | |
| Fluorochem | 207002-2g |
2,5-Dimethylbenzoylacetonitrile |
53882-93-2 | 97% | 2g |
￡424.00 | 2022-03-01 | |
| Fluorochem | 207002-5g |
2,5-Dimethylbenzoylacetonitrile |
53882-93-2 | 97% | 5g |
￡862.00 | 2022-03-01 | |
| abcr | AB367018-1 g |
2,5-Dimethylbenzoylacetonitrile, 97%; . |
53882-93-2 | 97% | 1g |
€513.80 | 2023-04-26 | |
| abcr | AB367018-2 g |
2,5-Dimethylbenzoylacetonitrile, 97%; . |
53882-93-2 | 97% | 2g |
€748.70 | 2023-04-26 | |
| abcr | AB367018-1g |
2,5-Dimethylbenzoylacetonitrile, 97%; . |
53882-93-2 | 97% | 1g |
€513.30 | 2025-04-18 | |
| abcr | AB367018-2g |
2,5-Dimethylbenzoylacetonitrile, 97%; . |
53882-93-2 | 97% | 2g |
€747.30 | 2025-04-18 | |
| abcr | AB367018-5g |
2,5-Dimethylbenzoylacetonitrile, 97%; . |
53882-93-2 | 97% | 5g |
€1437.40 | 2025-04-18 | |
| Advanced ChemBlocks | P37565-1G |
2,5-Dimethylbenzoylacetonitrile |
53882-93-2 | 95% | 1G |
$265 | 2023-09-15 | |
| Advanced ChemBlocks | P37565-5G |
2,5-Dimethylbenzoylacetonitrile |
53882-93-2 | 95% | 5G |
$765 | 2023-09-15 |
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Benzenepropanenitrile,2,5-dimethyl-b-oxo- Related Literature
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1. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
Additional information on Benzenepropanenitrile,2,5-dimethyl-b-oxo-
Recent Advances in the Study of Benzenepropanenitrile,2,5-dimethyl-b-oxo- (CAS: 53882-93-2) in Chemical Biology and Pharmaceutical Research
Benzenepropanenitrile,2,5-dimethyl-b-oxo- (CAS: 53882-93-2) is a chemical compound of significant interest in the fields of chemical biology and pharmaceutical research. Recent studies have highlighted its potential as a key intermediate in the synthesis of bioactive molecules and its role in modulating various biological pathways. This research brief aims to provide an overview of the latest findings related to this compound, focusing on its chemical properties, synthetic applications, and therapeutic potential.
One of the most notable advancements in the study of Benzenepropanenitrile,2,5-dimethyl-b-oxo- is its application in the development of novel kinase inhibitors. Kinases play a critical role in cell signaling and are often targeted in cancer therapy. Recent research has demonstrated that derivatives of this compound exhibit potent inhibitory activity against specific kinases, making them promising candidates for further drug development. The structural flexibility of Benzenepropanenitrile,2,5-dimethyl-b-oxo- allows for the design of analogs with enhanced selectivity and efficacy.
In addition to its role in kinase inhibition, Benzenepropanenitrile,2,5-dimethyl-b-oxo- has been investigated for its anti-inflammatory properties. Studies have shown that this compound can modulate the activity of key inflammatory mediators, such as NF-κB and COX-2, suggesting its potential as a therapeutic agent for inflammatory diseases. The mechanism of action involves the disruption of pro-inflammatory signaling pathways, thereby reducing the production of inflammatory cytokines.
The synthetic versatility of Benzenepropanenitrile,2,5-dimethyl-b-oxo- has also been a focus of recent research. Novel synthetic routes have been developed to improve the yield and purity of this compound, facilitating its use in large-scale pharmaceutical production. These advancements have been documented in several high-impact journals, underscoring the compound's importance in medicinal chemistry.
Despite these promising findings, challenges remain in the clinical translation of Benzenepropanenitrile,2,5-dimethyl-b-oxo-. Issues such as bioavailability, metabolic stability, and potential off-target effects need to be addressed in future studies. However, the compound's unique chemical properties and biological activities make it a valuable subject for ongoing research.
In conclusion, Benzenepropanenitrile,2,5-dimethyl-b-oxo- (CAS: 53882-93-2) represents a versatile and promising compound in chemical biology and pharmaceutical research. Its applications in kinase inhibition, anti-inflammatory therapy, and synthetic chemistry highlight its potential to contribute to the development of new therapeutic agents. Continued research and optimization will be essential to fully realize its clinical potential.
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