Cyclopentanone, 2-(5-bromo-2-methoxy-4-methylphenyl)-2-methyl-
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| Category | Others |
| Catalog number | BBF-05087 |
| CAS | 23963-91-9 |
| Molecular Weight | 297.19 |
| Molecular Formula | C14H17BrO2 |
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Specification
| Synonyms | 2-(5-Bromo-2-methoxy-4-methylphenyl)-2-methylcyclopentanone |
| IUPAC Name | 2-(5-bromo-2-methoxy-4-methylphenyl)-2-methylcyclopentan-1-one |
Properties
| Boiling Point | 396.2±42.0°C (Predicted) |
| Melting Point | 121-122°C |
| Density | 1.325±0.06 g/cm3 (Predicted) |
Reference Reading
1. Structure-Guided Directed Evolution of a Carbonyl Reductase Enables the Stereoselective Synthesis of (2 S,3 S)-2,2-Disubstituted-3-hydroxycyclopentanones via Desymmetric Reduction
Juan Li, Jinhui Feng, Xi Chen, Jingyao Gong, Yunfeng Cui, Hongliu Zhang, Dandan Bu, Qiaqing Wu, Dunming Zhu Org Lett. 2020 May 1;22(9):3444-3448. doi: 10.1021/acs.orglett.0c00892. Epub 2020 Apr 22.
In this study, an engineered carbonyl reductase (M4) was obtained through structure-guided directed evolution of a carbonyl reductase (SSCR) from Sporobolomyces salmonicolor AKU4429. Mutant M4 showed 23.9-fold enhancement of enzyme activity toward the model substrate 2-methyl-2-benzyl-1,3-cyclopentanedione, affording the (2S,3S)-stereoisomer in >98% ratio. This variant also showed excellent stereoselectivity toward most of the tested substrates, offering a valuable biocatalyst for the stereoselective reduction of these cyclic diketones to access the corresponding (2S,3S)-2,2-disubstituted-3-hydroxyketones.
2. Flower colour and essential oil compositions, antibacterial activities in Lagerstroemia indica L
Qiang Wei, Rui-Jie Liu Nat Prod Res. 2022 Apr;36(8):2145-2148. doi: 10.1080/14786419.2020.1843034. Epub 2020 Nov 4.
Compositions of volatile oil from Lagerstroemia indica L. were reported for the first time. Out of 114 components where 58, 63, 67 and 61 compounds were identified from the white, pink, mauve, carmine flower with yields of 0.92%, 1.15%, 1.12% and 1.08%, respectively. Main compounds of white flower were 2-methyl-cyclopentanone (9.41%), m-xylene (7.53%) while the pink, carmine flower contained octacosane (19.81% and 13.91%) and heneicosane (18.02% and 7.98%), respectively, and mauve flower contained cyclohexanone (8.13%), 1-octacosanol (7.87%). Only 23 components were common in four oils, representing 16.57-32.72% of the total oils. Composition classification of four oils included mainly alkanes, benzenes, ketones with 52.98-73.03% of the total oils. The results revealed the different characteristics in quality of these oils. The pink, mauve, carmine flower oils were found active against S. aureus and A. niger, P. aeruginosa and S. aureus, E. coli and B. subtilis with MIC value of 0.078 mg/mL.
3. Gas chromatography-mass spectrometry based untargeted volatolomics for smoked seafood classification
Leticia Lacalle-Bergeron, Tania Portolés, Carlos Sales, M Carmen Corell, Fernando Domínguez, Joaquim Beltrán, Juan Vicente Sancho, Félix Hernández Food Res Int. 2020 Nov;137:109698. doi: 10.1016/j.foodres.2020.109698. Epub 2020 Sep 18.
With the increase of the demand of low flavouring smoked seafood products, there is a need of methodologies able to distinguish between different seafood treatments, as not all of them are allowed in all markers. Following this objective, in the present work an untargeted volatolomics approach was applied to identify volatile markers that demonstrate that Cold smoked products can be distinguished from Tasteless smoke neither Carbon monoxide treated seafood, which are prohibited in the European Union. The use of dynamic headspace for the volatile extraction followed by thermal desorption in combination with Gas Chromatography (GC) coupled to single quadrupole Mass Spectrometry (MS) has been employed for the determination of volatile composition of smoked fish. Data processing consisted on the use of PARADISe software, applied for GC/MS data treatment, followed by the multivariate analysis with PLS_Toolbox (MATLAB), and finally the creation and validation of statistical classification model. All 107 variables obtained allowed the construction of a model reaching the correct classification of 97% of the blind samples, while a simplified model with only 11 variables correctly classified up to 93% of the blind samples. These 11 compounds were elucidated to develop subsequent target volatolomics approaches, if needed. Ordered according to the importance in the classification model, the elucidated compounds were: 3-methyl-cyclopentanone, ethylbenzene, 2-methyl-2-cyclopenten-1-one, 2-methyl-benzofuran, furfuryl alcohol, 2-acetylfuran, acetophenone, guaiacol, 1-hydroxy-2-butanone, 4-vinylguaicol and acetoin. The results demonstrated the great potential of untargeted volatolomics for smoked seafood treatments classification.
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Bio Calculators
* Our calculator is based on the following equation:
Concentration (start) x Volume (start) = Concentration (final) x Volume (final)
It is commonly abbreviated as: C1V1 = C2V2
* Total Molecular Weight:
g/mol
Tip: Chemical formula is case sensitive. C22H30N4O √ c22h30n40 ╳
