Cas no 52039-21-1 (2-Propenamide, 3-chloro-)
2-Propenamide, 3-chloro- Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenamide, 3-chloro-
- 3-chloroprop-2-enamide
- 3-Chloroacrylamide
- starbld0040054
- 52039-21-1
- (E)-3-chloroprop-2-enamide
- beta-chloroacryl amide
- AKOS006341012
-
- Inchi: 1S/C3H4ClNO/c4-2-1-3(5)6/h1-2H,(H2,5,6)/b2-1+
- InChI Key: GDVYZGMAXSNLGM-OWOJBTEDSA-N
- SMILES: Cl/C=C/C(N)=O
Computed Properties
- Exact Mass: 104.99822
- Monoisotopic Mass: 104.9981414g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 6
- Rotatable Bond Count: 1
- Complexity: 78.9
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0
- Topological Polar Surface Area: 43.1?2
Experimental Properties
- PSA: 43.09
2-Propenamide, 3-chloro- Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| A2B Chem LLC | AX74504-100mg |
3-Chloroprop-2-enamide |
52039-21-1 | 98% | 100mg |
$220.00 | 2024-04-19 | |
| A2B Chem LLC | AX74504-500mg |
3-Chloroprop-2-enamide |
52039-21-1 | 98% | 500mg |
$995.00 | 2024-04-19 | |
| eNovation Chemicals LLC | Y1241490-100mg |
3-Chloroprop-2-enamide |
52039-21-1 | 98% | 100mg |
$460 | 2025-02-25 | |
| eNovation Chemicals LLC | Y1241490-500mg |
3-Chloroprop-2-enamide |
52039-21-1 | 98% | 500mg |
$1770 | 2025-02-25 | |
| eNovation Chemicals LLC | Y1241490-500mg |
3-Chloroprop-2-enamide |
52039-21-1 | 98% | 500mg |
$1675 | 2024-06-05 | |
| eNovation Chemicals LLC | Y1241490-100mg |
3-Chloroprop-2-enamide |
52039-21-1 | 98% | 100mg |
$435 | 2024-06-05 | |
| 1PlusChem | 1P01EWSO-100mg |
3-Chloroprop-2-enamide |
52039-21-1 | 98% | 100mg |
$257.00 | 2024-04-30 | |
| 1PlusChem | 1P01EWSO-500mg |
3-Chloroprop-2-enamide |
52039-21-1 | 98% | 500mg |
$1105.00 | 2024-04-30 | |
| eNovation Chemicals LLC | Y1241490-500mg |
3-Chloroprop-2-enamide |
52039-21-1 | 98% | 500mg |
$1770 | 2025-02-28 | |
| eNovation Chemicals LLC | Y1241490-100mg |
3-Chloroprop-2-enamide |
52039-21-1 | 98% | 100mg |
$460 | 2025-02-28 |
2-Propenamide, 3-chloro- Related Literature
-
Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
-
Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
-
Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
Additional information on 2-Propenamide, 3-chloro-
Introduction to 2-Propenamide, 3-chloro (CAS No: 52039-21-1)
2-Propenamide, 3-chloro, identified by its Chemical Abstracts Service (CAS) number 52039-21-1, is a significant compound in the field of organic chemistry and pharmaceutical research. This amide derivative features a chlorinated propene backbone, making it a versatile intermediate in synthetic chemistry. Its unique structural properties have garnered attention for potential applications in drug development, agrochemicals, and material science.
The molecular structure of 2-Propenamide, 3-chloro consists of a propene group (C?H?) with a chlorine atom substituent at the third carbon and an amide functional group (-CONH?) at the other end. This configuration imparts both reactivity and stability, enabling its use in various chemical transformations. The presence of the chloro group enhances its utility as a building block in medicinal chemistry, particularly in the synthesis of bioactive molecules.
In recent years, 2-Propenamide, 3-chloro has been explored for its role in the development of novel pharmaceutical agents. Researchers have leveraged its reactivity to create derivatives with enhanced pharmacological properties. For instance, studies have demonstrated its potential in designing inhibitors targeting enzymatic pathways involved in inflammation and cancer metabolism. The compound's ability to undergo nucleophilic substitution reactions makes it a valuable precursor for constructing complex molecular architectures.
One of the most compelling aspects of 2-Propenamide, 3-chloro is its application in asymmetric synthesis. By employing chiral catalysts or auxiliaries, chemists can generate enantiomerically pure forms of this compound, which are crucial for developing enantioselective drugs. Such drugs often exhibit improved efficacy and reduced side effects compared to their racemic counterparts. The compound's versatility has also been highlighted in recent patents that describe its use in synthesizing non-peptide protease inhibitors.
The agrochemical industry has also benefited from the exploration of 2-Propenamide, 3-chloro. Its derivatives have shown promise as intermediates in the production of herbicides and fungicides. These compounds can interfere with essential metabolic pathways in pests and pathogens, offering new solutions for sustainable agriculture. Furthermore, the environmental impact of chlorinated amides has been a focus of research, with efforts to develop more biodegradable variants.
Advances in computational chemistry have further enhanced the understanding of 2-Propenamide, 3-chloro's reactivity and mechanism of action. Molecular modeling studies have provided insights into how this compound interacts with biological targets at the atomic level. These simulations have guided experimental designs, leading to more efficient synthetic routes and improved yields. The integration of experimental data with computational predictions has been instrumental in optimizing its applications across different fields.
Looking ahead, the future prospects of 2-Propenamide, 3-chloro are promising. Ongoing research aims to expand its utility in drug discovery by exploring novel synthetic methodologies and exploring its role in treating neglected tropical diseases. Additionally, green chemistry principles are being applied to develop more sustainable processes for its synthesis, reducing reliance on hazardous reagents and minimizing waste generation.
The compound's significance extends beyond pharmaceuticals; it also plays a role in advanced materials development. For example, researchers have investigated its potential as a monomer for polymer synthesis, creating materials with tailored properties such as biodegradability and mechanical strength. These innovations highlight the broad applicability of 2-Propenamide, 3-chloro across multiple scientific disciplines.
In conclusion,2-Propenamide, 3-chloro (CAS No: 52039-21-1) is a multifaceted compound with diverse applications in chemistry and related fields. Its unique structural features make it an invaluable tool for synthetic chemists and researchers developing new drugs and materials. As scientific understanding advances, so too will the innovative uses of this remarkable molecule.
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