Cas no 766-36-9 (3-Ethyl-4-methyl-3-pyrrolin-2-one)
3-Ethyl-4-methyl-3-pyrrolin-2-one Chemical and Physical Properties
Names and Identifiers
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- 3-Ethyl-4-methyl-2,5-dihydro-1H-pyrrol-2-one
- 3-ETHYL-1,5-DIHYDRO-4-METHYL-2H-PYRROL-2-ONE
- 3-ETHYL-4-METHYL-3-PYROLIN-2-ONE
- 3-ETHYL-4-METHYL-3-PYRROLIN-2-ONE
- 3-ETHYL-4-METHYL-1,5-DIHYDRO-2H-PYRROL-2-ONE
- 3-ETHYL-4-METHYL-1,5-DIHYDRO-PYRROL-2-ONE
- 3-ETHYL-4-METHYL-2-OXO-1,5-DIHYDROPYRROL-2-ONE
- 3-ethyl-4-methyl-2-oxo-3-pyrroline
- 3-Ethyl-4-methyl-3-pyrroline-2-one
- 3-ethyl-1,2-dihydro-4-methyl-5H-pyrrol-2-one
- 3-ethyl-4-iodo-phenol
- 3-ethyl-4-methyl-1,5-dihydropyrrol-2-one
- 4-iodo-3-ethylphenol
- 4-methyl-3-ethyl-3-pyrrolin-2-one
- 3-ethyl-4-methyl-1H-pyrrol-2(5H)-one
- 4-ethyl-3-methyl-1,2-dihydropyrrol-5-one
- 2H-Pyrrol-2-one, 3-ethyl-1,5-dihydro-4-methyl-
- 1,5-DIHYDRO-3-ETHYL-4-METHYL-2H-PYRROL-2-ONE
- PubChem12392
- KSC496Q3T
- YCTNTSVMJWIYTQ-UHFFFAOYSA-
- 3-ethyl-4-methylpyrroline-2-o
- 3-Pyrrolin-2-one,3-ethyl-4-methyl- (6CI,7CI,8CI)
- EN300-7386467
- AC-23984
- AM62801
- BCP28365
- AS-12826
- InChI=1/C7H11NO/c1-3-6-5(2)4-8-7(6)9/h3-4H2,1-2H3,(H,8,9)
- CKB2C738CF
- 3-ETHYL-1,5-DIHYDRO-4-METHYL-2H-PYRROL-2-ONE;
- AKOS006223717
- 3-Ethyl-4-methyl-2-oxopyrroline
- SCHEMBL1430224
- EC 616-364-4
- 3-ethyl-4-methylpyrroline-2-one
- E0964
- FT-0667991
- 3-Ethyl-4-methyl-3-pyrrolin-2-one, 97%
- MFCD00173861
- DTXSID70357558
- 3-Pyrrolin-2-one, 3-ethyl-4-methyl-
- A9711
- J-512425
- FT-0600899
- CS-W002472
- AB04375
- 766-36-9
- NS00001469
- YCTNTSVMJWIYTQ-UHFFFAOYSA-N
- SY032675
- 3-Ethyl-1,5-dihydro-4-methyl-2H-pyrrol-2-one; 3-Ethyl-1,5-dihydro-4-methyl-2H-pyrrol-2-one; 3-Ethyl-4-methyl-1,5-dihydropyrrol-2-one; 3-Ethyl-4-methyl-2-oxo-3-pyrroline;
- DB-006425
- E14400
- 3-Ethyl-4-methyl-3-pyrrolin-2-one 98%
- 616-364-4
- FE38884
- 3-Ethyl-4-methyl-3-pyrrolin-2-one
-
- MDL: MFCD00173861
- Inchi: 1S/C7H11NO/c1-3-6-5(2)4-8-7(6)9/h3-4H2,1-2H3,(H,8,9)
- InChI Key: YCTNTSVMJWIYTQ-UHFFFAOYSA-N
- SMILES: O=C1C(CC)=C(C)CN1
Computed Properties
- Exact Mass: 125.08400
- Monoisotopic Mass: 125.084064
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 1
- Complexity: 170
- 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
- Surface Charge: 0
- Tautomer Count: 2
- XLogP3: 0.4
- Topological Polar Surface Area: 29.1
Experimental Properties
- Color/Form: Powder
- Density: 0.977
- Melting Point: 102.0 to 106.0 deg-C
- Boiling Point: 279°C at 760 mmHg
- Flash Point: 279 °C at 760 mmHg
- Refractive Index: 1.467
- Water Partition Coefficient: Slightly soluble in water.
- PSA: 29.10000
- LogP: 1.17150
- FEMA: 2700
- Solubility: Not determined
3-Ethyl-4-methyl-3-pyrrolin-2-one Security Information
-
Symbol:
- Prompt:warning
- Signal Word:Warning
- Hazard Statement: H315-H319
- Warning Statement: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- Hazardous Material transportation number:NONH for all modes of transport
- WGK Germany:3
- Hazard Category Code: S22: do not breathe dust. S24/25: prevent skin and eye contact.
- Safety Instruction: S22-S24/25
-
Hazardous Material Identification:
- Safety Term:S22;S24/25
- Storage Condition:Sealed in dry,Room Temperature
3-Ethyl-4-methyl-3-pyrrolin-2-one 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%
3-Ethyl-4-methyl-3-pyrrolin-2-one Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Fluorochem | 036557-1g |
3-Ethyl-4-methyl-3-pyrrolin-2-one |
766-36-9 | 97% | 1g |
£10.00 | 2022-03-01 | |
| Fluorochem | 036557-10g |
3-Ethyl-4-methyl-3-pyrrolin-2-one |
766-36-9 | 97% | 10g |
£10.00 | 2022-03-01 | |
| Fluorochem | 036557-25g |
3-Ethyl-4-methyl-3-pyrrolin-2-one |
766-36-9 | 97% | 25g |
£19.00 | 2022-03-01 | |
| Fluorochem | 036557-100g |
3-Ethyl-4-methyl-3-pyrrolin-2-one |
766-36-9 | 97% | 100g |
£60.00 | 2022-03-01 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | E135294-1g |
3-Ethyl-4-methyl-3-pyrrolin-2-one |
766-36-9 | ≥98.0%(HPLC) | 1g |
¥30.90 | 2023-09-03 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | E135294-250mg |
3-Ethyl-4-methyl-3-pyrrolin-2-one |
766-36-9 | ≥98.0%(HPLC) | 250mg |
¥29.90 | 2023-09-03 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | E135294-25g |
3-Ethyl-4-methyl-3-pyrrolin-2-one |
766-36-9 | ≥98.0%(HPLC) | 25g |
¥142.90 | 2023-09-03 | |
| SHANG HAI A LA DING SHENG HUA KE JI GU FEN Co., Ltd. | E135294-5g |
3-Ethyl-4-methyl-3-pyrrolin-2-one |
766-36-9 | ≥98.0%(HPLC) | 5g |
¥36.90 | 2023-09-03 | |
| TI XI AI ( SHANG HAI ) HUA CHENG GONG YE FA ZHAN Co., Ltd. | E0964-25G |
3-Ethyl-4-methyl-3-pyrrolin-2-one |
766-36-9 | >98.0%(HPLC)(N) | 25g |
¥560.00 | 2024-04-15 | |
| AstaTech | 45314-50/G |
3-ETHYL-4-METHYL-3-PYRROLIN-2-ONE |
766-36-9 | 97% | 50g |
$75 | 2023-09-17 |
3-Ethyl-4-methyl-3-pyrrolin-2-one Suppliers
3-Ethyl-4-methyl-3-pyrrolin-2-one Related Literature
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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
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2. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Robert J. Meagher,Anson V. Hatch,Ronald F. Renzi,Anup K. Singh Lab Chip, 2008,8, 2046-2053
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Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
Additional information on 3-Ethyl-4-methyl-3-pyrrolin-2-one
Chemical Profile of 3-Ethyl-4-methyl-3-pyrrolin-2-one (CAS No: 766-36-9)
3-Ethyl-4-methyl-3-pyrrolin-2-one, identified by its Chemical Abstracts Service registry number CAS No: 766-36-9, is a heterocyclic compound that has garnered significant attention in the field of organic chemistry and pharmaceutical research. This compound belongs to the pyrrolinone class, a structural motif that is widely recognized for its diverse biological activities and synthetic utility. The presence of both ethyl and methyl substituents on the pyrrolinone ring contributes to its unique chemical properties, making it a valuable intermediate in the synthesis of more complex molecules.
The structural framework of 3-Ethyl-4-methyl-3-pyrrolin-2-one consists of a five-membered ring containing one nitrogen atom, with ethyl and methyl groups attached at specific positions. This configuration imparts a degree of flexibility and reactivity that is exploited in various chemical transformations. The compound’s solubility profile, typically soluble in organic solvents such as ethanol and dichloromethane, facilitates its use in both laboratory-scale reactions and industrial processes.
In recent years, 3-Ethyl-4-methyl-3-pyrrolin-2-one has been studied for its potential applications in pharmaceutical development. Its heterocyclic core is a common feature in many bioactive molecules, and researchers have been exploring its role as a precursor in the synthesis of drugs targeting neurological disorders, inflammation, and infectious diseases. The compound’s ability to undergo functional group modifications makes it a versatile building block for medicinal chemists.
One of the most compelling aspects of 3-Ethyl-4-methyl-3-pyrrolin-2-one is its involvement in the synthesis of molecules with significant pharmacological properties. For instance, derivatives of this compound have been investigated for their potential as kinase inhibitors, which are crucial in treating cancers and other chronic diseases. The nitrogen-containing ring system allows for interactions with biological targets that are often difficult to achieve with simpler aliphatic or aromatic compounds.
The chemical reactivity of 3-Ethyl-4-methyl-3-pyrrolin-2-one is another area of intense interest. The compound can participate in various reactions, including nucleophilic additions, cyclizations, and oxidations, which are fundamental to constructing more complex molecular architectures. These reactions are often catalyzed by transition metals or organometallic reagents, enabling the formation of carbon-carbon bonds that are essential for drug development.
Recent advancements in synthetic methodologies have further enhanced the utility of 3-Ethyl-4-methyl-3-pyrrolin-2-one. For example, flow chemistry techniques have been employed to improve the efficiency and scalability of reactions involving this compound. These methods allow for better control over reaction conditions, reducing byproduct formation and improving yields. Such innovations are critical for transitioning laboratory discoveries into viable pharmaceutical products.
The biological activity of 3-Ethyl-4-methyl-3-pyrrolin-2-one has also been explored in detail. Studies have shown that certain derivatives exhibit antimicrobial properties, making them promising candidates for developing new antibiotics. Additionally, the compound’s interaction with enzymes and receptors has been studied to understand its potential as an anti-inflammatory agent. These findings highlight the importance of 3-Ethyl-4-methyl-3-pyrrolin-2-one as a scaffold for drug discovery.
In conclusion, 3-Ethyl-4-methyl-3-pyrrolin-2-one (CAS No: 766-36-9) represents a fascinating compound with broad applications in organic synthesis and pharmaceutical research. Its unique structural features and chemical properties make it an invaluable tool for scientists working on developing new therapeutic agents. As research continues to uncover new ways to utilize this compound, its significance in the chemical and pharmaceutical industries is likely to grow even further.
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