Cas no 887255-38-1 (4-(1-oxopropan-2-yl)benzoic acid)
4-(1-oxopropan-2-yl)benzoic acid Chemical and Physical Properties
Names and Identifiers
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- BENZOIC ACID, 4-(1-METHYL-2-OXOETHYL)-
- 4-(1-oxopropan-2-yl)benzoic acid
- 887255-38-1
- EN300-1387173
- SCHEMBL8833495
- 4-(1-oxopropan-2-yl)benzoicAcid
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- Inchi: 1S/C10H10O3/c1-7(6-11)8-2-4-9(5-3-8)10(12)13/h2-7H,1H3,(H,12,13)
- InChI Key: LXMYZIWCYCQHJD-UHFFFAOYSA-N
- SMILES: O=CC(C)C1C=CC(C(=O)O)=CC=1
Computed Properties
- Exact Mass: 178.062994177Da
- Monoisotopic Mass: 178.062994177Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 192
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.4
- Topological Polar Surface Area: 54.4?2
4-(1-oxopropan-2-yl)benzoic acid Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| Enamine | EN300-1387173-1.0g |
4-(1-oxopropan-2-yl)benzoic acid |
887255-38-1 | 1g |
$0.0 | 2023-06-06 | ||
| Enamine | EN300-1387173-50mg |
4-(1-oxopropan-2-yl)benzoic acid |
887255-38-1 | 50mg |
$732.0 | 2023-09-30 | ||
| Enamine | EN300-1387173-100mg |
4-(1-oxopropan-2-yl)benzoic acid |
887255-38-1 | 100mg |
$767.0 | 2023-09-30 | ||
| Enamine | EN300-1387173-250mg |
4-(1-oxopropan-2-yl)benzoic acid |
887255-38-1 | 250mg |
$801.0 | 2023-09-30 | ||
| Enamine | EN300-1387173-500mg |
4-(1-oxopropan-2-yl)benzoic acid |
887255-38-1 | 500mg |
$836.0 | 2023-09-30 | ||
| Enamine | EN300-1387173-1000mg |
4-(1-oxopropan-2-yl)benzoic acid |
887255-38-1 | 1000mg |
$871.0 | 2023-09-30 | ||
| Enamine | EN300-1387173-2500mg |
4-(1-oxopropan-2-yl)benzoic acid |
887255-38-1 | 2500mg |
$1707.0 | 2023-09-30 | ||
| Enamine | EN300-1387173-5000mg |
4-(1-oxopropan-2-yl)benzoic acid |
887255-38-1 | 5000mg |
$2525.0 | 2023-09-30 | ||
| Enamine | EN300-1387173-10000mg |
4-(1-oxopropan-2-yl)benzoic acid |
887255-38-1 | 10000mg |
$3746.0 | 2023-09-30 |
4-(1-oxopropan-2-yl)benzoic acid Related Literature
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1. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
Additional information on 4-(1-oxopropan-2-yl)benzoic acid
4-(1-Oxopropan-2-yl)benzoic Acid: A Comprehensive Overview
The compound with CAS No 887255-38-1, commonly referred to as 4-(1-oxopropan-2-yl)benzoic acid, is a significant molecule in the field of organic chemistry. This compound has garnered attention due to its unique structural properties and potential applications in various industries. In this article, we will delve into the chemical characteristics, synthesis methods, and recent advancements in research related to 4-(1-oxopropan-2-yl)benzoic acid.
4-(1-Oxopropan-2-yl)benzoic acid is an aromatic carboxylic acid derivative with a substituent at the para position of the benzene ring. The substituent, 1-oxopropan-2-yl, introduces a ketone group and an ethyl chain, which significantly influences the compound's physical and chemical properties. This structure makes it a versatile building block for further chemical modifications and functionalization.
Recent studies have highlighted the importance of 4-(1-Oxopropan-2-yl)benzoic acid in drug discovery and development. Researchers have explored its potential as a precursor for bioactive molecules, particularly in the design of anti-inflammatory and anti-cancer agents. The presence of the ketone group allows for various reactions, such as nucleophilic additions and condensations, which are crucial in synthesizing complex drug molecules.
In terms of synthesis, 4-(1-Oxopropan-2-yl)benzoic acid can be prepared through several routes. One common method involves the Friedel-Crafts acylation of benzoic acid derivatives, followed by oxidation or reduction steps to introduce the desired substituents. Recent advancements in catalytic systems have enabled more efficient and environmentally friendly syntheses, reducing production costs and minimizing waste.
The application of 4-(1-Oxopropan-2-yl)benzoic acid extends beyond pharmaceuticals. It has been utilized in materials science for the development of advanced polymers and coatings. The compound's ability to form stable bonds with other monomers makes it an ideal candidate for creating high-performance materials with tailored properties such as thermal stability and mechanical strength.
Moreover, 4-(1-Oxopropan-2-yl)benzoic acid has shown promise in the field of green chemistry. Its use as a chiral auxiliary in asymmetric synthesis has been explored, offering a sustainable approach to producing enantiomerically pure compounds. This aligns with global efforts to promote eco-friendly chemical processes and reduce reliance on hazardous reagents.
Recent research has also focused on the pharmacokinetic properties of 4-(1-Oxopropan-2-yl)benzoic acid. Studies indicate that its bioavailability can be optimized through structural modifications, enhancing its potential as a drug candidate. Additionally, computational modeling techniques have been employed to predict its interactions with biological targets, providing valuable insights into its therapeutic applications.
In conclusion, 4-(1-Oxopropan-2-yl)benzoic acid (CAS No 887255381) is a multifaceted compound with diverse applications across various scientific domains. Its unique structure and reactivity make it a valuable tool in organic synthesis, drug discovery, and materials science. As research continues to uncover new possibilities for this compound, its role in advancing technological and medical innovations is expected to grow significantly.
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