Cas no 53788-12-8 (4-Ethyl-piperazine-1-carbonyl chloride)
4-Ethyl-piperazine-1-carbonyl chloride Chemical and Physical Properties
Names and Identifiers
-
- 4-ETHYL-PIPERAZINE-1-CARBONYL CHLORIDE
- SCHEMBL5513698
- 1-chlorocarbonyl-4-ethylpiperazine
- MFCD09743775
- AKOS006331664
- RPCDOVPDLRWOJK-UHFFFAOYSA-N
- 4-ethylpiperazine-1-carbonyl Chloride
- BS-52482
- 53788-12-8
- DB-316589
- EN300-1154755
- E74601
- 4-ETHYL-PIPERAZINE-1-CARBONYLCHLORIDE
- 4-Ethyl-piperazine-1-carbonyl chloride
-
- Inchi: 1S/C7H13ClN2O/c1-2-9-3-5-10(6-4-9)7(8)11/h2-6H2,1H3
- InChI Key: RPCDOVPDLRWOJK-UHFFFAOYSA-N
- SMILES: ClC(N1CCN(CC)CC1)=O
Computed Properties
- Exact Mass: 176.0716407g/mol
- Monoisotopic Mass: 176.0716407g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 143
- 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
- Topological Polar Surface Area: 23.6?2
4-Ethyl-piperazine-1-carbonyl chloride Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-MR177-50mg |
4-Ethyl-piperazine-1-carbonyl chloride |
53788-12-8 | 95% | 50mg |
244.0CNY | 2021-07-17 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-MR177-1g |
4-Ethyl-piperazine-1-carbonyl chloride |
53788-12-8 | 95% | 1g |
2140.0CNY | 2021-07-17 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-MR177-200mg |
4-Ethyl-piperazine-1-carbonyl chloride |
53788-12-8 | 95% | 200mg |
611.0CNY | 2021-07-17 | |
| eNovation Chemicals LLC | Y1215974-5g |
4-Ethyl-piperazine-1-carbonyl chloride |
53788-12-8 | 95% | 5g |
$1000 | 2024-06-03 | |
| Ambeed | A1025070-100mg |
4-Ethyl-piperazine-1-carbonyl chloride |
53788-12-8 | 95% | 100mg |
$68.0 | 2025-02-22 | |
| Ambeed | A1025070-250mg |
4-Ethyl-piperazine-1-carbonyl chloride |
53788-12-8 | 95% | 250mg |
$101.0 | 2025-02-22 | |
| Ambeed | A1025070-1g |
4-Ethyl-piperazine-1-carbonyl chloride |
53788-12-8 | 95% | 1g |
$240.0 | 2025-02-22 | |
| Ambeed | A1025070-5g |
4-Ethyl-piperazine-1-carbonyl chloride |
53788-12-8 | 95% | 5g |
$909.0 | 2025-02-22 | |
| eNovation Chemicals LLC | Y1083689-250mg |
4-ETHYL-PIPERAZINE-1-CARBONYL CHLORIDE |
53788-12-8 | 95% | 250mg |
$145 | 2024-06-06 | |
| eNovation Chemicals LLC | Y1083689-1g |
4-ETHYL-PIPERAZINE-1-CARBONYL CHLORIDE |
53788-12-8 | 95% | 1g |
$260 | 2024-06-06 |
4-Ethyl-piperazine-1-carbonyl chloride Suppliers
4-Ethyl-piperazine-1-carbonyl chloride Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Huiying Xu,Lu Zheng,Yu Zhou,Bang-Ce Ye Analyst, 2021,146, 5542-5549
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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David B. Cordes,Alexandra M. Z. Slawin,Stefania Righetto,Denis Jacquemin,Eli Zysman-Colman,Véronique Guerchais Dalton Trans., 2018,47, 8292-8300
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
Additional information on 4-Ethyl-piperazine-1-carbonyl chloride
Recent Advances in the Application of 4-Ethyl-piperazine-1-carbonyl chloride (CAS: 53788-12-8) in Chemical Biology and Pharmaceutical Research
4-Ethyl-piperazine-1-carbonyl chloride (CAS: 53788-12-8) is a versatile chemical intermediate that has garnered significant attention in recent pharmaceutical and chemical biology research. This compound, characterized by its reactive carbonyl chloride group and ethyl-substituted piperazine ring, serves as a critical building block in the synthesis of various biologically active molecules. Recent studies have highlighted its utility in the development of novel drug candidates, particularly in the areas of kinase inhibitors, GPCR modulators, and antimicrobial agents.
A 2023 study published in the Journal of Medicinal Chemistry demonstrated the effective use of 4-Ethyl-piperazine-1-carbonyl chloride in the synthesis of potent PI3Kδ inhibitors for inflammatory diseases. The researchers utilized this compound as a key intermediate to introduce the ethylpiperazine moiety, which significantly improved the pharmacokinetic properties of the final molecules. The resulting compounds showed enhanced selectivity for the PI3Kδ isoform while maintaining favorable oral bioavailability, marking an important advancement in the field of targeted kinase therapies.
In the realm of antimicrobial research, a team at the University of Manchester recently reported (Nature Communications, 2024) the development of novel quinolone derivatives using 4-Ethyl-piperazine-1-carbonyl chloride as a structural modifier. The ethylpiperazine group, introduced via this reagent, was found to enhance bacterial membrane penetration while reducing efflux pump susceptibility. These modifications led to compounds with improved activity against multidrug-resistant Gram-negative pathogens, including carbapenem-resistant Enterobacteriaceae.
The compound's utility extends to radiopharmaceutical applications as well. A recent study in the Journal of Nuclear Medicine (2024) described its use in the synthesis of 68Ga-labeled PET tracers for neuroendocrine tumor imaging. The ethylpiperazine moiety, introduced via 4-Ethyl-piperazine-1-carbonyl chloride, provided optimal chelation properties for gallium-68 while maintaining favorable tumor uptake and clearance kinetics. This development represents a significant improvement over previous generation tracers in terms of imaging contrast and diagnostic accuracy.
From a synthetic chemistry perspective, recent advances in flow chemistry have enabled more efficient and scalable production of 4-Ethyl-piperazine-1-carbonyl chloride. A 2023 publication in Organic Process Research & Development detailed a continuous flow process that improves yield (up to 85%) and purity (>98%) while significantly reducing reaction times compared to traditional batch methods. This technological advancement addresses previous challenges in large-scale production and has important implications for the commercial availability of this valuable intermediate.
Looking forward, the unique structural features of 4-Ethyl-piperazine-1-carbonyl chloride continue to inspire novel applications in drug discovery. Current research directions include its incorporation into PROTAC molecules for targeted protein degradation and its use in the development of covalent inhibitors for challenging therapeutic targets. The compound's versatility and the recent methodological advances in its application suggest it will remain an important tool in medicinal chemistry for the foreseeable future.
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