Cas no 3389-54-6 (1-benzoylpyrrolidine)
1-benzoylpyrrolidine Chemical and Physical Properties
Names and Identifiers
-
- Methanone,phenyl-1-pyrrolidinyl-
- phenyl(pyrrolidin-1-yl)methanone
- 1-BENZOYLPYRROLIDINE
- Methanone,phenyl-1-pyrrolidinyl
- AKOS003411011
- 3389-54-6
- N-Benzoyl pyrrolidine
- pyrrolidinophenone
- VIQDUCBDZPYNNX-UHFFFAOYSA-N
- A928709
- CS-0451353
- SCHEMBL254870
- N-benzoylpyrrolidine
- F77899
- EN300-8100521
- DTXSID60359506
- AO-854/40108228
- HS-4586
- 1-benzoylpyrrolidine
-
- MDL: MFCD00456316
- Inchi: 1S/C11H13NO/c13-11(12-8-4-5-9-12)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2
- InChI Key: VIQDUCBDZPYNNX-UHFFFAOYSA-N
- SMILES: O=C(C1C=CC=CC=1)N1CCCC1
Computed Properties
- Exact Mass: 175.10000
- Monoisotopic Mass: 175.099714038g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 179
- 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: 1.9
- Topological Polar Surface Area: 20.3?2
Experimental Properties
- PSA: 20.31000
- LogP: 1.86050
1-benzoylpyrrolidine Customs Data
- HS CODE:2933990090
- Customs Data:
China Customs Code:
2933990090Overview:
2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. 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:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%
1-benzoylpyrrolidine Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | P914092-5g |
phenyl(pyrrolidin-1-yl)methanone |
3389-54-6 | 95% | 5g |
720.00 | 2021-05-17 | |
| eNovation Chemicals LLC | Y1256129-5g |
Methanone,phenyl-1-pyrrolidinyl- |
3389-54-6 | 95% | 5g |
$125 | 2024-06-07 | |
| eNovation Chemicals LLC | Y1256129-25g |
Methanone,phenyl-1-pyrrolidinyl- |
3389-54-6 | 95% | 25g |
$1080 | 2023-09-04 | |
| Enamine | EN300-8100521-0.05g |
1-benzoylpyrrolidine |
3389-54-6 | 95% | 0.05g |
$65.0 | 2024-05-21 | |
| Enamine | EN300-8100521-0.1g |
1-benzoylpyrrolidine |
3389-54-6 | 95% | 0.1g |
$96.0 | 2024-05-21 | |
| Enamine | EN300-8100521-0.25g |
1-benzoylpyrrolidine |
3389-54-6 | 95% | 0.25g |
$136.0 | 2024-05-21 | |
| Enamine | EN300-8100521-0.5g |
1-benzoylpyrrolidine |
3389-54-6 | 95% | 0.5g |
$256.0 | 2024-05-21 | |
| Enamine | EN300-8100521-1.0g |
1-benzoylpyrrolidine |
3389-54-6 | 95% | 1.0g |
$355.0 | 2024-05-21 | |
| Enamine | EN300-8100521-2.5g |
1-benzoylpyrrolidine |
3389-54-6 | 95% | 2.5g |
$697.0 | 2024-05-21 | |
| Enamine | EN300-8100521-5.0g |
1-benzoylpyrrolidine |
3389-54-6 | 95% | 5.0g |
$1033.0 | 2024-05-21 |
1-benzoylpyrrolidine Suppliers
1-benzoylpyrrolidine Related Literature
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Rajendran Manikandan,Masilamani Jeganmohan Org. Biomol. Chem. 2016 14 7691
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Rongrong Li,Xinzheng Yang Dalton Trans. 2021 50 12888
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Xiao-Fei Wang,Shu-Sheng Yu,Chao Wang,Dong Xue,Jianliang Xiao Org. Biomol. Chem. 2016 14 7028
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4. Ruthenium(ii)-catalyzed α-fluoroalkenylation of arenes via C–H bond activation and C–F bond cleavageNa Li,Junbiao Chang,Lingheng Kong,Xingwei Li Org. Chem. Front. 2018 5 1978
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5. Ruthenium(ii)-catalyzed α-fluoroalkenylation of arenes via C–H bond activation and C–F bond cleavageNa Li,Junbiao Chang,Lingheng Kong,Xingwei Li Org. Chem. Front. 2018 5 1978
Additional information on 1-benzoylpyrrolidine
Introduction to Methanone,phenyl-1-pyrrolidinyl (CAS No. 3389-54-6)
The compound Methanone,phenyl-1-pyrrolidinyl (CAS No. 3389-54-6) is a significant molecule in the realm of pharmaceutical chemistry and medicinal research. This compound, characterized by its phenyl and pyrrolidinyl substituents, has garnered attention due to its structural versatility and potential biological activities. The unique combination of these functional groups makes it a valuable scaffold for the development of novel therapeutic agents.
In recent years, the interest in Methanone,phenyl-1-pyrrolidinyl has surged, driven by its promising applications in drug discovery. The phenyl ring contributes to hydrophobic interactions, while the pyrrolidinyl moiety introduces a nitrogen-rich environment that can enhance binding affinity to biological targets. This dual functionality has positioned the compound as a key intermediate in synthesizing molecules with potential therapeutic benefits.
One of the most compelling aspects of Methanone,phenyl-1-pyrrolidinyl is its role in the development of small-molecule inhibitors. Researchers have leveraged its structural framework to design compounds that interact with enzymes and receptors involved in various disease pathways. For instance, studies have shown that derivatives of this compound exhibit inhibitory effects on kinases and other enzymes implicated in cancer and inflammatory diseases. These findings underscore the compound's significance as a pharmacological tool.
The synthesis of Methanone,phenyl-1-pyrrolidinyl involves multi-step organic reactions that highlight the ingenuity of modern synthetic chemistry. The process typically begins with the preparation of a pyrrolidine derivative, followed by functionalization with a phenyl group and subsequent methylation to introduce the characteristic methanone moiety. Advanced techniques such as palladium-catalyzed cross-coupling reactions have been employed to achieve high yields and purity, ensuring that the final product meets stringent pharmaceutical standards.
Recent advancements in computational chemistry have further enhanced the understanding of Methanone,phenyl-1-pyrrolidinyl's properties. Molecular modeling studies have revealed insights into its binding interactions with biological targets, providing a rational basis for designing more effective derivatives. These computational approaches complement experimental work, enabling researchers to predict and optimize the pharmacokinetic profiles of potential drug candidates.
The pharmacological potential of Methanone,phenyl-1-pyrrolidinyl has been explored in several preclinical studies. Researchers have investigated its effects on various disease models, including those relevant to neurodegenerative disorders and cardiovascular diseases. The compound's ability to modulate key signaling pathways has sparked interest in its therapeutic applications. While further research is needed to fully elucidate its mechanisms of action, these preliminary findings suggest that Methanone,phenyl-1-pyrrolidinyl could be a valuable asset in drug development pipelines.
Quality control and analytical methods are crucial for ensuring the consistency and reliability of Methanone,phenyl-1-pyrrolidinyl in pharmaceutical applications. Techniques such as high-performance liquid chromatography (HPLC), nuclear magnetic resonance (NMR) spectroscopy, and mass spectrometry are routinely employed to confirm purity and structural integrity. These analytical tools provide confidence that the compound meets the required specifications for use in research and development.
The future prospects for Methanone,phenyl-1-pyrrolidinyl are promising, with ongoing studies aimed at expanding its therapeutic applications. Innovations in synthetic methodologies and computational biology are expected to accelerate the discovery of novel derivatives with enhanced efficacy and reduced side effects. As our understanding of biological systems continues to evolve, compounds like Methanone,phenyl-1-pyrrolidinyl will play an increasingly important role in addressing unmet medical needs.
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