Cas no 53409-45-3 (3H-Pyrazol-3-one, 1-[(4-chlorophenyl)methyl]-1,2-dihydro-)
3H-Pyrazol-3-one, 1-[(4-chlorophenyl)methyl]-1,2-dihydro- Chemical and Physical Properties
Names and Identifiers
-
- 3H-Pyrazol-3-one, 1-[(4-chlorophenyl)methyl]-1,2-dihydro-
- 2-[(4-chlorophenyl)methyl]-1H-pyrazol-5-one
- 1-(4-Chlorobenzyl)-1H-pyrazol-3(2H)-one
- 1-[(4-chlorophenyl)methyl]-2,3-dihydro-1H-pyrazol-3-one
- DTXSID80395628
- 53409-45-3
- 1-[(4-Chlorophenyl)methyl]-1H-pyrazol-3-ol
-
- Inchi: 1S/C10H9ClN2O/c11-9-3-1-8(2-4-9)7-13-6-5-10(14)12-13/h1-6H,7H2,(H,12,14)
- InChI Key: DPLDIOUVLAKRJI-UHFFFAOYSA-N
- SMILES: ClC1C=CC(=CC=1)CN1C=CC(N1)=O
Computed Properties
- Exact Mass: 208.04047
- Monoisotopic Mass: 208.04
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 247
- 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: 2
- Topological Polar Surface Area: 32.3?2
Experimental Properties
- PSA: 32.34
3H-Pyrazol-3-one, 1-[(4-chlorophenyl)methyl]-1,2-dihydro- Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| eNovation Chemicals LLC | Y1250153-250mg |
1-[(4-Chlorophenyl)methyl]-1H-pyrazol-3-ol |
53409-45-3 | 98% | 250mg |
$710 | 2024-06-05 | |
| eNovation Chemicals LLC | Y1250153-100mg |
1-[(4-Chlorophenyl)methyl]-1H-pyrazol-3-ol |
53409-45-3 | 98% | 100mg |
$395 | 2024-06-05 | |
| eNovation Chemicals LLC | Y1250153-1g |
1-[(4-Chlorophenyl)methyl]-1H-pyrazol-3-ol |
53409-45-3 | 98% | 1g |
$1835 | 2024-06-05 | |
| 1PlusChem | 1P01EWUA-100mg |
1-[(4-Chlorophenyl)methyl]-1H-pyrazol-3-ol |
53409-45-3 | 98% | 100mg |
$231.00 | 2024-04-30 | |
| 1PlusChem | 1P01EWUA-250mg |
1-[(4-Chlorophenyl)methyl]-1H-pyrazol-3-ol |
53409-45-3 | 98% | 250mg |
$455.00 | 2024-04-30 | |
| 1PlusChem | 1P01EWUA-1g |
1-[(4-Chlorophenyl)methyl]-1H-pyrazol-3-ol |
53409-45-3 | 98% | 1g |
$1213.00 | 2024-04-30 | |
| A2B Chem LLC | AX74562-100mg |
1-[(4-Chlorophenyl)methyl]-1H-pyrazol-3-ol |
53409-45-3 | 98% | 100mg |
$195.00 | 2024-04-19 | |
| A2B Chem LLC | AX74562-250mg |
1-[(4-Chlorophenyl)methyl]-1H-pyrazol-3-ol |
53409-45-3 | 98% | 250mg |
$395.00 | 2024-04-19 | |
| A2B Chem LLC | AX74562-1g |
1-[(4-Chlorophenyl)methyl]-1H-pyrazol-3-ol |
53409-45-3 | 98% | 1g |
$1095.00 | 2024-04-19 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1664848-250mg |
1-(4-Chlorobenzyl)-1,2-dihydro-3H-pyrazol-3-one |
53409-45-3 | 98% | 250mg |
¥2763.00 | 2024-05-10 |
3H-Pyrazol-3-one, 1-[(4-chlorophenyl)methyl]-1,2-dihydro- Related Literature
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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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
Additional information on 3H-Pyrazol-3-one, 1-[(4-chlorophenyl)methyl]-1,2-dihydro-
Comprehensive Overview of 3H-Pyrazol-3-one, 1-[(4-chlorophenyl)methyl]-1,2-dihydro- (CAS No. 53409-45-3)
The compound 3H-Pyrazol-3-one, 1-[(4-chlorophenyl)methyl]-1,2-dihydro- (CAS No. 53409-45-3) is a heterocyclic organic molecule that has garnered significant attention in pharmaceutical and agrochemical research. With its unique pyrazolone core and 4-chlorobenzyl substitution, this compound exhibits versatile chemical properties, making it a valuable intermediate in synthetic chemistry. Researchers and industry professionals frequently search for terms like "pyrazolone derivatives applications", "CAS 53409-45-3 uses", and "chlorophenylmethyl pyrazolone synthesis", reflecting its broad relevance.
One of the key features of 3H-Pyrazol-3-one, 1-[(4-chlorophenyl)methyl]-1,2-dihydro- is its potential role in drug discovery. The pyrazolone scaffold is known for its bioactivity, often explored for anti-inflammatory, antimicrobial, and antioxidant properties. Recent trends in AI-driven drug design and computational chemistry have highlighted the importance of such heterocycles, as they can be optimized for target-specific interactions. Searches like "pyrazolone in medicinal chemistry" and "heterocyclic compounds in drug development" underscore this growing interest.
In agrochemical applications, the 4-chlorophenyl moiety in CAS No. 53409-45-3 contributes to its efficacy as a potential pesticide or herbicide intermediate. With the global push toward sustainable agriculture, researchers are investigating eco-friendly derivatives of such compounds. Popular queries such as "green synthesis of pyrazolones" and "agrochemical intermediates 2024" align with these developments. The compound’s stability and reactivity make it a candidate for further innovation in crop protection.
Synthetic methodologies for 1-[(4-chlorophenyl)methyl]-1,2-dihydro-3H-pyrazol-3-one often involve condensation reactions or catalytic processes. Advanced techniques like microwave-assisted synthesis and flow chemistry are being explored to improve yield and reduce environmental impact. Laboratories frequently search for "optimized pyrazolone synthesis" and "CAS 53409-45-3 preparation", indicating demand for efficient protocols. The compound’s purity and scalability are critical for industrial adoption.
From an analytical perspective, 53409-45-3 is characterized using techniques such as NMR, HPLC, and mass spectrometry. Quality control is paramount, especially when the compound is used in high-value applications. Searches like "pyrazolone analytical methods" and "CAS 53409-45-3 specifications" reflect the need for precise characterization. Regulatory compliance and safety data are also frequently queried, emphasizing the compound’s standardized handling.
In conclusion, 3H-Pyrazol-3-one, 1-[(4-chlorophenyl)methyl]-1,2-dihydro- (CAS No. 53409-45-3) is a multifaceted compound with applications spanning pharmaceuticals, agrochemicals, and material science. Its structural versatility aligns with contemporary research trends, including green chemistry and AI-aided molecular design. By addressing common search queries and leveraging its heterocyclic advantages, this compound remains a focal point for innovation.
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