Cas no 552846-23-8 (Ethanone, 1-[4-(1H-tetrazol-5-yl)phenyl]-)
Ethanone, 1-[4-(1H-tetrazol-5-yl)phenyl]- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone, 1-[4-(1H-tetrazol-5-yl)phenyl]-
- 1-(4-(5H-tetrazol-5-yl)phenyl)ethanone
- 1-[4-(2H-tetrazol-5-yl)phenyl]ethanone
- 1-[4-(5H-tetrazol-5-yl)phenyl]ethanone
- C75589
- DS-20101
- AKOS030633052
- MFCD28559139
- CXA84623
- 552846-23-8
- DB-131770
-
- MDL: MFCD28559139
- Inchi: 1S/C9H8N4O/c1-6(14)7-2-4-8(5-3-7)9-10-12-13-11-9/h2-5,9H,1H3
- InChI Key: ACFUNIVIZORNDJ-UHFFFAOYSA-N
- SMILES: O=C(C)C1C=CC(=CC=1)C1N=NN=N1
Computed Properties
- Exact Mass: 188.06994
- Monoisotopic Mass: 188.06981089g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 267
- 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: 2.2
- Topological Polar Surface Area: 66.5?2
Experimental Properties
- PSA: 71.53
Ethanone, 1-[4-(1H-tetrazol-5-yl)phenyl]- Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Alichem | A019113673-1g |
1-(4-(5H-Tetrazol-5-yl)phenyl)ethanone |
552846-23-8 | 97% | 1g |
$313.60 | 2023-09-01 | |
| Alichem | A019113673-5g |
1-(4-(5H-Tetrazol-5-yl)phenyl)ethanone |
552846-23-8 | 97% | 5g |
$969.60 | 2023-09-01 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-RD184-200mg |
Ethanone, 1-[4-(1H-tetrazol-5-yl)phenyl]- |
552846-23-8 | 97% | 200mg |
293.0CNY | 2021-07-17 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-RD184-50mg |
Ethanone, 1-[4-(1H-tetrazol-5-yl)phenyl]- |
552846-23-8 | 97% | 50mg |
117.0CNY | 2021-07-17 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-RD184-250mg |
Ethanone, 1-[4-(1H-tetrazol-5-yl)phenyl]- |
552846-23-8 | 97% | 250mg |
1103CNY | 2021-05-07 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-RD184-1g |
Ethanone, 1-[4-(1H-tetrazol-5-yl)phenyl]- |
552846-23-8 | 97% | 1g |
747.0CNY | 2021-07-17 | |
| SHANG HAI XIAN DING Biotechnology Co., Ltd. | B-RD184-100mg |
Ethanone, 1-[4-(1H-tetrazol-5-yl)phenyl]- |
552846-23-8 | 97% | 100mg |
527CNY | 2021-05-07 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | H45020-5g |
1-(4-(5H-Tetrazol-5-yl)phenyl)ethanone |
552846-23-8 | 97% | 5g |
¥1993.0 | 2023-09-07 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | H45020-100mg |
1-(4-(5H-Tetrazol-5-yl)phenyl)ethanone |
552846-23-8 | 97% | 100mg |
¥97.0 | 2024-07-19 | |
| SHANG HAI JI ZHI SHENG HUA Technology Co., Ltd. | H45020-250mg |
1-(4-(5H-Tetrazol-5-yl)phenyl)ethanone |
552846-23-8 | 97% | 250mg |
¥164.0 | 2024-07-19 |
Ethanone, 1-[4-(1H-tetrazol-5-yl)phenyl]- Related Literature
-
Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
-
Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
Additional information on Ethanone, 1-[4-(1H-tetrazol-5-yl)phenyl]-
Ethanone, 1-[4-(1H-tetrazol-5-yl)phenyl]-: A Comprehensive Overview
Ethanone, 1-[4-(1H-tetrazol-5-yl)phenyl]-, also known by its CAS number 552846-23-8, is a compound of significant interest in the fields of organic chemistry and pharmacology. This compound is characterized by its unique structure, which combines a tetrazole ring with a phenyl group and an ethanone moiety. The tetrazole ring, a five-membered aromatic heterocycle containing four nitrogen atoms and one carbon atom, is a key feature of this molecule and contributes to its diverse chemical properties.
The synthesis of Ethanone, 1-[4-(1H-tetrazol-5-yl)phenyl]- has been extensively studied, with researchers exploring various methods to optimize the reaction conditions and yields. Recent advancements in catalytic systems and green chemistry have enabled more efficient and environmentally friendly syntheses of this compound. For instance, the use of transition metal catalysts such as palladium or copper has significantly improved the coupling reactions involved in its preparation.
One of the most notable applications of this compound is in the field of drug discovery. The tetrazole moiety is known for its ability to act as a bioisostere for carboxylic acids, making it a valuable component in the design of bioactive molecules. Recent studies have demonstrated that Ethanone, 1-[4-(1H-tetrazol-5-yl)phenyl]- exhibits promising activity against various enzymes and receptors, suggesting its potential as a lead compound for therapeutic agents.
In addition to its pharmacological applications, this compound has also found utility in materials science. The tetrazole group's ability to coordinate with metal ions has led to its use in the synthesis of coordination polymers and metal-organic frameworks (MOFs). These materials have applications in gas storage, catalysis, and sensing technologies. Recent research has highlighted the role of Ethanone, 1-[4-(1H-tetrazol-5-yl)phenyl]- in constructing MOFs with enhanced stability and selectivity.
The physical and chemical properties of Ethanone, 1-[4-(1H-tetrazol-5-yl)phenyl]- have been thoroughly investigated using advanced analytical techniques such as NMR spectroscopy, X-ray crystallography, and mass spectrometry. These studies have provided insights into its molecular geometry, electronic structure, and reactivity patterns. For example, the compound's ability to undergo nucleophilic aromatic substitution reactions has been exploited in the development of novel synthetic routes.
Recent advancements in computational chemistry have further enhanced our understanding of this compound's behavior at the molecular level. Quantum mechanical calculations have been used to predict its electronic properties, reactivity trends, and interactions with biological targets. These computational studies complement experimental findings and provide a deeper insight into the design of derivatives with improved bioactivity.
In conclusion, Ethanone, 1-[4-(1H-tetrazol-5-yl)phenyl]- (CAS No: 552846-23-8) is a versatile compound with a wide range of applications in chemistry and pharmacology. Its unique structure and functional groups make it an invaluable tool for researchers in various disciplines. As ongoing research continues to uncover new properties and applications of this compound, it is likely to play an increasingly important role in both academic and industrial settings.
552846-23-8 (Ethanone, 1-[4-(1H-tetrazol-5-yl)phenyl]-) Related Products
- 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)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 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)