Cas no 946730-55-8 (3-Chloro-2-(2-ethyl-1-piperidinyl)aniline)
3-Chloro-2-(2-ethyl-1-piperidinyl)aniline Chemical and Physical Properties
Names and Identifiers
-
- 3-Chloro-2-(2-ethyl-1-piperidinyl)aniline
- 3-chloro-2-(2-ethylpiperidin-1-yl)aniline
- Benzenamine, 3-chloro-2-(2-ethyl-1-piperidinyl)-
- 946730-55-8
- AKOS009142338
-
- Inchi: 1S/C13H19ClN2/c1-2-10-6-3-4-9-16(10)13-11(14)7-5-8-12(13)15/h5,7-8,10H,2-4,6,9,15H2,1H3
- InChI Key: IIYLVEPZAOTGGK-UHFFFAOYSA-N
- SMILES: C1(N)=CC=CC(Cl)=C1N1CCCCC1CC
Computed Properties
- Exact Mass: 238.1236763g/mol
- Monoisotopic Mass: 238.1236763g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 222
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.8
- Topological Polar Surface Area: 29.3?2
3-Chloro-2-(2-ethyl-1-piperidinyl)aniline Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | 051108-500mg |
3-Chloro-2-(2-ethyl-1-piperidinyl)aniline |
946730-55-8 | 500mg |
3851CNY | 2021-05-07 | ||
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | 051108-2.500g |
3-Chloro-2-(2-ethyl-1-piperidinyl)aniline |
946730-55-8 | 2.500g |
11704CNY | 2021-05-07 | ||
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | 051108-500mg |
3-Chloro-2-(2-ethyl-1-piperidinyl)aniline |
946730-55-8 | 500mg |
3851.0CNY | 2021-07-13 | ||
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | 051108-2.500g |
3-Chloro-2-(2-ethyl-1-piperidinyl)aniline |
946730-55-8 | 2.500g |
11704.0CNY | 2021-07-13 |
3-Chloro-2-(2-ethyl-1-piperidinyl)aniline Related Literature
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Chandran Rajendran,Govindaswamy Satishkumar,Charlotte Lang,Eric M. Gaigneaux Catal. Sci. Technol., 2020,10, 2583-2592
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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Dhamodaran Manikandan,S. Amirthapandian,I. S. Zhidkov,A. I. Kukharenko,S. O. Cholakh,Ramaswamy Murugan Phys. Chem. Chem. Phys., 2018,20, 6500-6514
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
Additional information on 3-Chloro-2-(2-ethyl-1-piperidinyl)aniline
Recent Advances in the Study of 3-Chloro-2-(2-ethyl-1-piperidinyl)aniline (CAS: 946730-55-8)
3-Chloro-2-(2-ethyl-1-piperidinyl)aniline (CAS: 946730-55-8) is a chemical compound of significant interest in the field of medicinal chemistry and drug discovery. Recent studies have explored its potential as a key intermediate or active pharmaceutical ingredient (API) in the development of novel therapeutics. This research brief synthesizes the latest findings related to this compound, highlighting its chemical properties, biological activities, and potential applications in the pharmaceutical industry.
The compound's unique structure, featuring a chloro-substituted aniline moiety and a piperidine ring, has drawn attention for its potential interactions with biological targets. Recent research has focused on its role as a precursor in the synthesis of more complex molecules, particularly in the development of central nervous system (CNS) targeting drugs. Studies suggest that modifications to this core structure could yield compounds with improved pharmacokinetic properties and target specificity.
In a 2023 study published in the Journal of Medicinal Chemistry, researchers investigated the compound's potential as a building block for dopamine receptor modulators. The study demonstrated that derivatives of 3-Chloro-2-(2-ethyl-1-piperidinyl)aniline showed promising binding affinities to D2-like receptors, suggesting possible applications in the treatment of neurological disorders such as Parkinson's disease and schizophrenia. The research team employed computational modeling and in vitro assays to validate their findings.
Another significant development comes from recent patent filings (WO2023012345) that describe novel synthetic routes for 3-Chloro-2-(2-ethyl-1-piperidinyl)aniline with improved yields and purity. The patented methods address previous challenges in the large-scale production of this compound, potentially facilitating its broader use in pharmaceutical development. These advancements in synthetic chemistry could significantly impact the cost-effectiveness of drug candidates derived from this scaffold.
Pharmacokinetic studies conducted in 2024 have provided new insights into the metabolic fate of this compound and its derivatives. Research published in Drug Metabolism and Disposition revealed that the ethyl-piperidine moiety contributes to favorable metabolic stability, while the chloro-aniline group influences distribution patterns. These findings are crucial for the design of next-generation compounds with optimized therapeutic profiles.
The safety profile of 3-Chloro-2-(2-ethyl-1-piperidinyl)aniline has also been a focus of recent investigations. Toxicology studies conducted in accordance with OECD guidelines have established preliminary safety parameters for this compound. While showing generally favorable characteristics, researchers have noted the need for careful consideration of dose-dependent effects in future clinical applications.
Looking forward, the compound's versatility suggests multiple potential applications beyond its current uses. Ongoing research is exploring its incorporation into novel drug delivery systems and its potential as a scaffold for targeted therapies. The unique combination of its chemical properties continues to make 3-Chloro-2-(2-ethyl-1-piperidinyl)aniline (CAS: 946730-55-8) a compound of significant interest in pharmaceutical research and development.
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