Cas no 898785-69-8 (1-(2-chloro-pyridin-4-yl)-2-ethyl-butan-1-one)
1-(2-chloro-pyridin-4-yl)-2-ethyl-butan-1-one Chemical and Physical Properties
Names and Identifiers
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- 1-(2-CHLORO-PYRIDIN-4-YL)-2-ETHYL-BUTAN-1-ONE
- RIEKE 5574-18
- 2-Chloro-4-pyridyl 1-ethylpropyl ketone
- MFCD07699454
- 898785-69-8
- 1-(2-chloropyridin-4-yl)-2-ethylbutan-1-one
- AKOS016019046
- 2-Chloro-4-pyridyl1-ethylpropylketone
- 1-(2-chloro-pyridin-4-yl)-2-ethyl-butan-1-one
-
- MDL： MFCD07699454
- Inchi： 1S/C11H14ClNO/c1-3-8(4-2)11(14)9-5-6-13-10(12)7-9/h5-8H,3-4H2,1-2H3
- InChI Key： LHHSYDZAPQZLKU-UHFFFAOYSA-N
- SMILES： ClC1C=C(C=CN=1)C(C(CC)CC)=O
Computed Properties
- Exact Mass: 211.07600
- Monoisotopic Mass: 211.0763918Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 192
- 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: 3.3
- Topological Polar Surface Area: 30?2
Experimental Properties
- PSA: 29.96000
- LogP: 3.35390
1-(2-chloro-pyridin-4-yl)-2-ethyl-butan-1-one Customs Data
- HS CODE：2933399090
- Customs Data：
China Customs Code:
2933399090Overview:
2933399090. Other compounds with non fused pyridine rings in structure. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%
Declaration elements:
Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date
Summary:
2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
1-(2-chloro-pyridin-4-yl)-2-ethyl-butan-1-one Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| abcr | AB362846-1 g |
2-Chloro-4-pyridyl 1-ethylpropyl ketone, 97%; . |
898785-69-8 | 97% | 1 g |
€954.60 | 2023-07-19 | |
| abcr | AB362846-2 g |
2-Chloro-4-pyridyl 1-ethylpropyl ketone, 97%; . |
898785-69-8 | 97% | 2 g |
€1,400.00 | 2023-07-19 | |
| Fluorochem | 202729-1g |
2-Chloro-4-pyridyl 1-ethylpropyl ketone |
898785-69-8 | 97% | 1g |
￡554.00 | 2022-03-01 | |
| Fluorochem | 202729-2g |
2-Chloro-4-pyridyl 1-ethylpropyl ketone |
898785-69-8 | 97% | 2g |
￡837.00 | 2022-03-01 | |
| Fluorochem | 202729-5g |
2-Chloro-4-pyridyl 1-ethylpropyl ketone |
898785-69-8 | 97% | 5g |
￡1702.00 | 2022-03-01 | |
| Matrix Scientific | 103415-1g |
2-Chloro-4-pyridyl 1-ethylpropyl ketone |
898785-69-8 | 1g |
$517.00 | 2023-09-08 | ||
| Matrix Scientific | 103415-2g |
2-Chloro-4-pyridyl 1-ethylpropyl ketone |
898785-69-8 | 2g |
$739.00 | 2023-09-08 | ||
| Matrix Scientific | 103415-5g |
2-Chloro-4-pyridyl 1-ethylpropyl ketone |
898785-69-8 | 5g |
$1412.00 | 2023-09-08 | ||
| abcr | AB362846-1g |
2-Chloro-4-pyridyl 1-ethylpropyl ketone, 97%; . |
898785-69-8 | 97% | 1g |
€953.10 | 2025-04-15 | |
| abcr | AB362846-2g |
2-Chloro-4-pyridyl 1-ethylpropyl ketone, 97%; . |
898785-69-8 | 97% | 2g |
€1398.60 | 2025-04-15 |
1-(2-chloro-pyridin-4-yl)-2-ethyl-butan-1-one Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
Additional information on 1-(2-chloro-pyridin-4-yl)-2-ethyl-butan-1-one
Comprehensive Overview of 1-(2-chloro-pyridin-4-yl)-2-ethyl-butan-1-one (CAS No. 898785-69-8): Properties, Applications, and Industry Insights
The compound 1-(2-chloro-pyridin-4-yl)-2-ethyl-butan-1-one (CAS No. 898785-69-8) is a specialized organic molecule that has garnered significant attention in pharmaceutical and agrochemical research. Its unique structural features, including the 2-chloropyridine moiety and the 2-ethyl-butan-1-one side chain, make it a valuable intermediate in synthetic chemistry. Researchers and industry professionals frequently search for terms like "1-(2-chloro-pyridin-4-yl)-2-ethyl-butan-1-one synthesis", "CAS 898785-69-8 applications", and "2-chloropyridine derivatives", reflecting its relevance in modern chemical innovation.
In recent years, the demand for pyridine-based compounds has surged due to their versatility in drug discovery and crop protection. 1-(2-chloro-pyridin-4-yl)-2-ethyl-butan-1-one is no exception, with its potential role in developing novel heterocyclic frameworks. A trending topic in scientific forums is the optimization of its synthesis routes to improve yield and sustainability—addressing the growing focus on green chemistry and cost-effective production. Searches for "eco-friendly synthesis of 2-ethyl-butan-1-one derivatives" highlight this shift in industry priorities.
The physicochemical properties of CAS 898785-69-8, such as its solubility, stability, and reactivity, are critical for its applications. Analytical techniques like HPLC, NMR, and mass spectrometry are often employed to characterize this compound, as evidenced by queries like "1-(2-chloro-pyridin-4-yl)-2-ethyl-butan-1-one analytical methods". Its chloropyridine group also makes it a subject of interest in studies exploring structure-activity relationships (SAR) for bioactive molecules.
From a commercial perspective, 1-(2-chloro-pyridin-4-yl)-2-ethyl-butan-1-one is part of a broader market for fine chemicals and high-value intermediates. Supply chain trends indicate rising inquiries about "bulk suppliers of CAS 898785-69-8" and "custom synthesis services for pyridine ketones". Regulatory compliance, particularly concerning REACH and GMP standards, is another hot topic, as manufacturers seek to align with global safety and quality benchmarks.
Looking ahead, the compound’s potential in catalysis and material science is an emerging area of exploration. With AI-driven drug design gaining traction, searches for "machine learning in heterocyclic compound optimization" and "1-(2-chloro-pyridin-4-yl)-2-ethyl-butan-1-one computational modeling" underscore the intersection of traditional chemistry and cutting-edge technology. This dual focus ensures that CAS 898785-69-8 remains a compound of enduring scientific and industrial significance.
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