Cas no 2999-18-0 (1-Pentanone,1-(2,4,6-trihydroxyphenyl)-)
1-Pentanone,1-(2,4,6-trihydroxyphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1-Pentanone,1-(2,4,6-trihydroxyphenyl)-
- 1-(2,4,6-trihydroxyphenyl)pentan-1-one
- Phlorovalerophenone(6CI)
- Valerophenone, 2',4',6'-trihydroxy- (7CI,8CI)
- Valerylphloroglucinol
- 1-(2,4,6-trihydroxyphenyl)-1-pentanone
- SCHEMBL2790900
- CHEMBL3946100
- 2999-18-0
- E71626
- BDBM50196896
- WS-00603
-
- Inchi: 1S/C11H14O4/c1-2-3-4-8(13)11-9(14)5-7(12)6-10(11)15/h5-6,12,14-15H,2-4H2,1H3
- InChI Key: HPBAQDWUBZVAMF-UHFFFAOYSA-N
- SMILES: O=C(C1C(=CC(=CC=1O)O)O)CCCC
Computed Properties
- Exact Mass: 210.08922
- Monoisotopic Mass: 210.08920892g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 205
- 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: 2.5
- Topological Polar Surface Area: 77.8?2
Experimental Properties
- PSA: 77.76
1-Pentanone,1-(2,4,6-trihydroxyphenyl)- Pricemore >>
| Related Categories | No. | Product Name | Cas No. | Purity | Specification | Price | update time | Inquiry |
|---|---|---|---|---|---|---|---|---|
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | T940903-100mg |
1-(2,4,6-Trihydroxyphenyl)pentan-1-one |
2999-18-0 | 95% | 100mg |
¥364.50 | 2022-08-31 | |
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | T940903-250mg |
1-(2,4,6-Trihydroxyphenyl)pentan-1-one |
2999-18-0 | 95% | 250mg |
¥675.00 | 2022-08-31 | |
| SHANG HAI MAI KE LIN SHENG HUA Technology Co., Ltd. | T940903-1g |
1-(2,4,6-Trihydroxyphenyl)pentan-1-one |
2999-18-0 | 95% | 1g |
¥1,125.00 | 2022-08-31 | |
| SHANG HAI HAO HONG Biomedical Technology Co., Ltd. | 1816502-1g |
1-(2,4,6-Trihydroxyphenyl)pentan-1-one |
2999-18-0 | 95% | 1g |
¥6000.00 | 2024-08-02 |
1-Pentanone,1-(2,4,6-trihydroxyphenyl)- Related Literature
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Denis V. Korchagin,Elena A. Yureva,Alexander V. Akimov,Eugenii Ya. Misochko,Gennady V. Shilov,Artem D. Talantsev,Roman B. Morgunov,Alexander A. Shakin,Sergey M. Aldoshin,Boris S. Tsukerblat Dalton Trans., 2017,46, 7540-7548
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
Additional information on 1-Pentanone,1-(2,4,6-trihydroxyphenyl)-
1-Pentanone,1-(2,4,6-Trihydroxyphenyl)- (CAS No. 2999-18-0): A Comprehensive Overview
1-Pentanone,1-(2,4,6-trihydroxyphenyl)-, also known by its CAS registry number 2999-18-0, is a chemical compound with a unique structure and diverse applications. This compound belongs to the class of ketones and is characterized by its pentanone backbone and a substituted phenol group. The molecule's structure consists of a five-carbon chain (pentanone) attached to a phenol ring that is trihydroxylated at the 2, 4, and 6 positions. This configuration gives the compound its distinct chemical properties and functional groups.
The trihydroxyphenyl group in 1-Pentanone,1-(2,4,6-trihydroxyphenyl)- introduces significant hydrophilicity due to the presence of three hydroxyl (-OH) groups on the aromatic ring. These hydroxyl groups can participate in hydrogen bonding, making the compound more soluble in polar solvents compared to its non-hydroxylated counterparts. The pentanone moiety contributes to the compound's lipophilic nature, creating a balance between hydrophilicity and lipophilicity that is often desirable in various chemical and biological applications.
Recent studies have highlighted the potential of 1-Pentanone,1-(2,4,6-trihydroxyphenyl)- in the field of medicinal chemistry. Researchers have explored its role as a lead compound for drug development due to its ability to interact with biological systems through multiple functional groups. For instance, the trihydroxyphenyl group has been shown to exhibit antioxidant properties, which can be beneficial in combating oxidative stress-related diseases such as neurodegenerative disorders and cardiovascular diseases.
In addition to its medicinal applications, 1-Pentanone,1-(2,4,6-trihydroxyphenyl)- has found utility in the flavor and fragrance industry. The compound's unique aroma profile makes it a valuable ingredient in perfumery and food additives. Its ability to impart subtle floral and woody notes has made it a popular choice among fragrance designers. Recent advancements in aroma chemistry have further enhanced our understanding of how this compound interacts with olfactory receptors, paving the way for more sophisticated scent formulations.
The synthesis of 1-Pentanone,1-(2,4,6-trihydroxyphenyl)- typically involves multi-step organic reactions. One common approach is the nucleophilic substitution of an appropriate bromide or chloride precursor with a trihydroxyphenol derivative. The reaction conditions are carefully optimized to ensure high yield and purity of the final product. Recent research has focused on developing more sustainable and environmentally friendly synthesis methods for this compound.
From an analytical standpoint,mass spectrometry (MS) and nuclear magnetic resonance (NMR) techniques have been instrumental in characterizing 1-Pentanone,1-(2,4,6-trihydroxyphenyl)- at both structural and functional levels. These techniques provide insights into the compound's molecular weight distribution and functional group interactions. Furthermore,computational chemistry tools, such as molecular docking studies,have been employed to predict the binding affinities of this compound with various biological targets.
In terms of safety considerations,occupational exposure limits (OELs) for handling this compound are established based on its toxicological profile. Proper personal protective equipment (PPE) is recommended when working with this material to minimize health risks associated with prolonged exposure.
The future outlook for 1-Pentanone,1-(2,4,-trihydroxyphenyl)- appears promising as ongoing research continues to uncover new applications across multiple industries. Its versatile chemical structure makes it a valuable asset in fields ranging from pharmaceuticals to cosmetics.
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