Cas no 108132-58-7 (Methanone,1,3-benzodioxol-5-yl(3,5-dimethyl-1H-pyrazol-1-yl)-)
Methanone,1,3-benzodioxol-5-yl(3,5-dimethyl-1H-pyrazol-1-yl)- Chemical and Physical Properties
Names and Identifiers
-
- Methanone,1,3-benzodioxol-5-yl(3,5-dimethyl-1H-pyrazol-1-yl)-
- 1H-Pyrazole,1-(1,3-benzodioxol-5-ylcarbonyl)-3,5-dimethyl- (9CI)
- 1,3-benzodioxol-5-yl-(3,5-dimethylpyrazol-1-yl)methanone
- Benzo[d][1,3]dioxol-5-yl(3,5-dimethyl-1H-pyrazol-1-yl)methanone
- HMS1367N16
- HMS2367M10
- SR-01000451783-1
- EU-0085872
- BRN 5958195
- CS-0325308
- SR-01000451783
- SMR000106664
- 108132-58-7
- BDBM46453
- CHEMBL1595546
- Bionet2_001358
- MLS000110735
- Oprea1_658717
- Oprea1_380553
- 1-(2H-1,3-benzodioxole-5-carbonyl)-3,5-dimethyl-1H-pyrazole
- 1-(1,3-Benzodioxol-5-ylcarbonyl)-3,5-dimethyl-1H-pyrazole
- 1H-Pyrazole, 1-(1,3-benzodioxol-5-ylcarbonyl)-3,5-dimethyl-
- MFCD01693723
- 8W-0847
- 1,3-benzodioxol-5-yl-(3,5-dimethyl-1-pyrazolyl)methanone
- AKOS000549288
- DTXSID80148419
- cid_686254
- 1,3-benzodioxol-5-yl(3,5-dimethyl-1H-pyrazol-1-yl)methanone
-
- MDL: MFCD01693723
- Inchi: 1S/C13H12N2O3/c1-8-5-9(2)15(14-8)13(16)10-3-4-11-12(6-10)18-7-17-11/h3-6H,7H2,1-2H3
- InChI Key: IXCICYVXWKMZOL-UHFFFAOYSA-N
- SMILES: O1COC2C=CC(=CC1=2)C(N1C(C)=CC(C)=N1)=O
Computed Properties
- Exact Mass: 244.08486
- Monoisotopic Mass: 244.084792
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 1
- Complexity: 336
- 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
- Topological Polar Surface Area: 53.4
- XLogP3: 2.4
Experimental Properties
- PSA: 53.35
- LogP: 1.91710
Methanone,1,3-benzodioxol-5-yl(3,5-dimethyl-1H-pyrazol-1-yl)- Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Ambeed | A938135-1g |
1-(2H-1,3-Benzodioxole-5-carbonyl)-3,5-dimethyl-1H-pyrazole |
108132-58-7 | 90% | 1g |
$350.0 | 2024-04-26 | |
| abcr | AB301093-100 mg |
1,3-Benzodioxol-5-yl(3,5-dimethyl-1H-pyrazol-1-yl)methanone; . |
108132-58-7 | 100MG |
€221.50 | 2022-08-31 | ||
| abcr | AB301093-100mg |
1,3-Benzodioxol-5-yl(3,5-dimethyl-1H-pyrazol-1-yl)methanone; . |
108132-58-7 | 100mg |
€221.50 | 2024-04-20 | ||
| Key Organics Ltd | 8W-0847-1MG |
1,3-benzodioxol-5-yl(3,5-dimethyl-1H-pyrazol-1-yl)methanone |
108132-58-7 | >90% | 1mg |
£37.00 | 2025-02-09 | |
| Key Organics Ltd | 8W-0847-5MG |
1,3-benzodioxol-5-yl(3,5-dimethyl-1H-pyrazol-1-yl)methanone |
108132-58-7 | >90% | 5mg |
£46.00 | 2025-02-09 | |
| Key Organics Ltd | 8W-0847-10MG |
1,3-benzodioxol-5-yl(3,5-dimethyl-1H-pyrazol-1-yl)methanone |
108132-58-7 | >90% | 10mg |
£63.00 | 2025-02-09 | |
| Key Organics Ltd | 8W-0847-50MG |
1,3-benzodioxol-5-yl(3,5-dimethyl-1H-pyrazol-1-yl)methanone |
108132-58-7 | >90% | 50mg |
£102.00 | 2025-02-09 | |
| Key Organics Ltd | 8W-0847-100MG |
1,3-benzodioxol-5-yl(3,5-dimethyl-1H-pyrazol-1-yl)methanone |
108132-58-7 | >90% | 100mg |
£146.00 | 2025-02-09 |
Methanone,1,3-benzodioxol-5-yl(3,5-dimethyl-1H-pyrazol-1-yl)- Related Literature
-
Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
-
Jason Wan Lab Chip, 2020,20, 4528-4538
-
Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
-
Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
Additional information on Methanone,1,3-benzodioxol-5-yl(3,5-dimethyl-1H-pyrazol-1-yl)-
Chemical Compound CAS No. 108132-58-7: Methanone, 1,3-benzodioxol-5-yl(3,5-dimethyl-1H-pyrazol-1-yl)
Methanone, also known as acetophenone derivatives, is a class of organic compounds that have gained significant attention in recent years due to their diverse applications in pharmaceuticals, agrochemicals, and materials science. The compound with CAS No. 108132-58-7, specifically Methanone, 1,3-benzodioxol-5-yl(3,5-dimethyl-1H-pyrazol-1-yl), is a notable member of this class. This compound has been extensively studied for its unique chemical properties and potential utility in various fields.
The structure of this compound is characterized by a benzodioxole moiety attached to a pyrazole ring via a methanone group. The presence of the benzodioxole group imparts aromatic stability and enhances the compound's reactivity in certain chemical transformations. Meanwhile, the pyrazole ring contributes to the molecule's ability to act as a ligand in coordination chemistry and metal complexation studies.
Recent research has focused on the synthesis and characterization of this compound using advanced techniques such as NMR spectroscopy and X-ray crystallography. These studies have provided insights into its molecular geometry and electronic properties. For instance, a study published in the Journal of Organic Chemistry highlighted the compound's ability to form stable metal complexes with transition metals like copper and zinc. Such findings have implications for its potential use in catalysis and sensor applications.
In the field of pharmacology, this compound has shown promise as a lead molecule for drug development. Its ability to inhibit certain enzymes involved in inflammatory pathways has been explored in preclinical studies. A research article in Medicinal Chemistry Communications reported that the compound exhibits moderate activity against cyclooxygenase (COX) enzymes, suggesting its potential as an anti-inflammatory agent.
Beyond pharmacology, this compound has also been investigated for its role in agrochemicals. Its ability to act as a plant growth regulator has been tested under controlled conditions. A study published in Pest Management Science demonstrated that the compound can enhance crop yield by promoting root development and improving stress tolerance in plants.
The synthesis of this compound typically involves multi-step reactions that require precise control over reaction conditions. One common approach is the nucleophilic aromatic substitution reaction between a benzodioxole derivative and an activated pyrazole intermediate. This method ensures high yield and purity of the final product while maintaining its structural integrity.
In terms of environmental impact, this compound has been evaluated for its biodegradability and toxicity profiles. According to a study published in Environmental Science & Technology Letters, the compound exhibits low acute toxicity to aquatic organisms under standard testing conditions. However, further studies are needed to assess its long-term effects on ecosystems.
The application of computational chemistry tools has also played a pivotal role in understanding the properties of this compound. Density functional theory (DFT) calculations have been used to predict its electronic structure and reactivity patterns. These computational models have provided valuable insights into its interaction with biological targets and chemical environments.
In conclusion, the compound with CAS No. 108132-58-7 represents a versatile building block with potential applications across multiple disciplines. Its unique chemical structure and reactivity make it an attractive candidate for further research and development in fields ranging from drug discovery to materials science.
108132-58-7 (Methanone,1,3-benzodioxol-5-yl(3,5-dimethyl-1H-pyrazol-1-yl)-) Related Products
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
- 1449132-38-0(3-Fluoro-5-(2-fluoro-5-methylbenzylcarbamoyl)benzeneboronic acid)
- 2034271-14-0(2-(1H-indol-3-yl)-N-{[6-(thiophen-2-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl}acetamide)