Category: 5445-17-0

Reference of 5445-17-0, Children learn through play, and they learn more than adults might expect. Science experiments are a great way to spark their curiosity, 5445-17-0, Name is Methyl 2-bromopropanoate, SMILES is CC(C(OC)=O)Br, belongs to esters-buliding-blocks compound. In a article, author is Liebisch, Gerhard, introduce new discover of the category.

Update on LIPID MAPS classification, nomenclature, and shorthand notation for MS-derived lipid structures

A comprehensive and standardized system to report lipid structures analyzed by MS is essential for the communication and storage of lipidomics data. Herein, an update on both the LIPID MAPS classification system and shorthand notation of lipid structures is presented for lipid categories Fatty Acyls (FA), Glycerolipids (GL), Glycerophospholipids (GP), Sphingolipids (SP), and Sterols (ST). With its major changes, i.e., annotation of ring double bond equivalents and number of oxygens, the updated shorthand notation facilitates reporting of newly delineated oxygenated lipid species as well. For standardized reporting in lipidomics, the hierarchical architecture of shorthand notation reflects the diverse structural resolution powers provided by mass spectrometric assays. Moreover, shorthand notation is expanded beyond mammalian phyla to lipids from plant and yeast phyla. Finally, annotation of atoms is included for the use of stable isotope-labeled compounds in metabolic labeling experiments or as internal standards. This update on lipid classification, nomenclature, and shorthand annotation for lipid mass spectra is considered a standard for lipid data presentation.

Reference of 5445-17-0, Because enzymes can increase reaction rates by enormous factors and tend to be very specific, typically producing only a single product in quantitative yield, they are the focus of active research.you can also check out more blogs about 5445-17-0.

Researchers who often do experiments know that organic synthesis is a process of preparing more complex target molecules from simple raw materials through one or more chemical reactions. Generally, it requires fewer steps, and cheap raw materials. 5445-17-0, name is Methyl 2-bromopropanoate, A new synthetic method of this compound is introduced below., SDS of cas: 5445-17-0

After dissolving 5 g (19.06 mmol) of triphenylphosphine in 15 ml of toluene, an aqueous solution of 0.32 g (1.90 mmol) of potassium iodide in 15 ml of distilled water and 3.2 ml (28.6 mmol) of methyl 2-bromopropionate were added thereto. And the mixture was stirred at 70 C for 20 hours. After completion of the reaction, the reaction mixture was cooled to room temperature, basified (pH 9) with 10 N aqueous sodium hydroxide solution, and extracted with dichloromethane. The obtained organic layer was dried over anhydrous sodium sulfate, filtered under reduced pressure, and distilled under reduced pressure. The obtained solid was washed with hexane and then filtered under reduced pressure and dried under reduced pressure to give 6.0 g (yield: 91%) of the title compound.

The basis of chemical reaction formula synthesis, the synthesis route is composed of some specific reactions and combined according to certain logical thinking. We look forward to the emergence of more reaction modes in the future.

Reference:
Patent; Hanmi Pharmaceutical Co., Ltd.; Lee, Kwang Okh; Jo, Myung Gi; (13 pag.)KR2015/77974; (2015); A;,
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

These common heterocyclic compound, 5445-17-0, name is Methyl 2-bromopropanoate, its traditional synthetic route has been very mature, but the traditional synthetic route has various shortcomings, such as complicated route, low yield, poor purity, etc, below Introduce a new synthetic route. Computed Properties of C4H7BrO2

Add p-chlorodiphenyl disulfide (0.5 mmol) to a 10 mL reaction tube.Methyl alpha-bromopropionate (1.0 mmol),Zinc powder (2.0 mmol) solvent toluene (2 mL) and dinuclear Schiff base titanium perfluorooctanesulfonic acid complex (X=OSO2C8F17)(0.04 mmol), stirred for 4 h at 25C. Spin dry after the reaction is over.The residue was extracted with ether three times and the filtrate was evaporatedThe crude product was separated by silica gel column chromatography.This gave methyl 2-p-chlorophenylthiopropionate as a colorless oily liquid in a yield of 86%.

The synthetic route of Methyl 2-bromopropanoate has been constantly updated, and we look forward to future research findings.

Reference:
Patent; Shanxi Medical University; Li Ningbo; Wang Lingxiao; Wang Haojiang; Zhao Wenjie; (13 pag.)CN107722049; (2018); A;,
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

5445-17-0, name is Methyl 2-bromopropanoate, belongs to esters-buliding-blocks compound, is considered to be a conventional heterocyclic compound, which is widely used in drug synthesis. The chemical synthesis route is as follows. Quality Control of Methyl 2-bromopropanoate

EXAMPLE 11A 2-[4-(5-Trifluoromethyl-pyridin-2-yl)-piperazin-1-yl]-propionic acid methyl ester A solution of 1-(5-trifluoromethyl-pyridin-2-yl)-piperazine (0.9 g, 3.9 mmoles) in MeOH (13 mL) and DIPEA (1.5 mL) was treated with 2-bromo-propionic acid methyl ester (0.48 mL, 4.3 mmoles) and stirred overnight at 70 C. MeOH was removed under reduced pressure and the residue was purified (silica gel, 10-40% acetone in hexane) to provide the title compound as a yellowish solid (1.23 g, 99%).

The synthetic route of 5445-17-0 has been constantly updated, and we look forward to future research findings.

Reference:
Patent; Hoff, Ethan D.; Link, James T.; Pliushchev, Marina A.; Rohde, Jeffrey J.; Winn, Martin; US2005/261302; (2005); A1;,
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Synthetic Route of 5445-17-0, As we all know, there are many different methods for the synthesis of a compound, and people can choose the synthesis method that suits their own laboratory according to the actual situation. 5445-17-0 name is Methyl 2-bromopropanoate, This compound is widely used in many fields, so it is necessary to find a new synthetic route. The downstream synthesis method of this compound is introduced below.

Example 22; Preparation of the Compound E-13; Preparation of ethyl 2-methyl-2-(2-methyl-4-(1-(3-(4-methyl-5-oxo-1-(4-trifluoromethyl-phenyl)-4,5-dihydrogen-1H-1,2,4-triazolyl))-benzylthio)-phenoxy)-acetate(E-13); In a 250 ml three-necked flask, to a stirred mixture of lithium aluminum tetrahydride (LiAlH4, 1.0 g, 26.4 mmol) and tetrahydrofuran (THF 30 ml) was added dropwise a solution of 3-methyl-4-hydroxy-phenyl thiocyanic acid (1.38 g, 8.35 mmol) in 20 ml of tetrahydrofuran at 0 C. After 30 min of stirring at 0 C., the mixture was allowed to warm up to room temperature and then stirred for another 2 hours at room temperature. The reaction was quenched by adding ethanol (10 ml). The value of pH of the mixture was adjusted to pH 3-4 by adding 6 N hydrochloric acid in an ice water bath, and then the aqueous phase was extracted with ethyl acetate (3¡Á80 ml). The combined organic layer was dried over anhydrous magnesium sulfate, filtrated, concentrated under reduced pressure, and purified by column chromatography (silica-gel H: 300-400 mesh; petroleum ether/ethyl acetate=5:1 v/v) to yield 1.44 g of a disulfide (yellow jelly-like liquid, yield: 62%).Its structure was characterized by the following data from nuclear magnetic resonance spectroscopy and Mass spectroscopy:1H NMR (400 MHz, CDCl3) delta 2.2 (s, 3H), 5.35 (s, 1H), 6.69 (d, J=8.28 Hz, 1H), 7.18 (dd, J=8.23 Hz, 2.23 Hz, 1H), 7.24 (d, J=2.24 Hz, 1H); 13C NMR (100 MHz, CDCl3) delta 15.7, 115.5, 125.0, 128.3, 130.2, 134.0, 154.4; MS (ESI) m/z 278.33 (M+H)+.In 250 ml single-necked flask, to a stirred solution of above crude product (0.7 g, 2.59 mmol) in acetonitrile (60 ml) were added methyl 2-bromo-propionate (0.7 ml, 6.0 mmol) and potassium carbonate (K2CO3, 2 g, 14.5 mmol). The resulting mixture was stirred at room temperature overnight. After the reaction was completed, the reaction mixture was diluted with ethyl acetate (100 ml), and filtrated. The combined solution was evaporated under reduced pressure to give a residue which was purified by chromatography (silica-gel H: 300-400 mesh; petroleum ether/ethyl acetate=5:1 v/v) to yield 1.0 g of a yellow jelly-like liquid (yield: 86%).Its structure was characterized by the following data from nuclear magnetic resonance spectroscopy:1H NMR (400 MHz, CDCl3) delta 1.63 (d, J=6.84 Hz, 1H); 2.34 (s, 3H), 3.75 (s, 3H), 4.73 (q, J=6.84 Hz, 1H), 6.57-6.61 (m, 1H), 7.19-7.27 (m, 2H).In a 250 ml single-necked flask, to a stirred solution of the above-described product (1.0 g, 2.22 mmol) in ethanol (15 ml) were added 15 ml of water and 5 ml of concentrated hydrochloric acid. Zinc powder (10 g, 153 mmol) was added slowly. After the addition, the reaction mixture was stirred at room temperature for 30 min and then extracted with dichloromethane (3¡Á50 ml). The organic phases were combined, dried over anhydrous magnesium sulfate, filtrated, and concentrated under reduced pressure to yield a pale-yellow liquid.In a 150 ml single-necked flask, to a stirred solution of the above crude product in 30 ml of acetonitrile were added a solution of 341-bromo-benzyl)-4-methyl-1-(4-trifluoromethyl)phenyl-1H-1,2,4-triazole-5(4H)-one (III-1) (1.8 g, 4.36 mmol) in acetonitrile (30 ml) and potassium carbonate (K2CO3, 2.5 g, 18.1 mmol). The reaction mixture was stirred at room temperature for 6 hours. After the reaction was completed, the reaction mixture was diluted by adding 100 ml of ethyl acetate, filtrated, concentrated under reduced pressure, and subjected to column chromatography (silica-gel H: 300-400 mesh; petroleum ether/ethyl acetate=5:1 v/v) to yield 1.2 g E-13 (a pair of diastereoisomers) (a pale-yellow jelly-like liquid, yield: 50%).Its structure was characterized by the following data from nuclear magnetic resonance spectroscopy:1H NMR (400 MHz, CDCl3) delta 1.61 (d, J=6.84 Hz, 1H); 2.18 (s, 3H), 3.15 (s, 3H), 3.70 (d, J=12.61 Hz, 3H); 4.70 (q, J=6.82 Hz, 1H); 5.18 (s, 1H); 6.51 (d, J=8.46 Hz, 1H), 7.0-7.11 (m, 1H), 7.10-7.15 (m, 1H), 7.34-7.37 (m, 5H), 7.67 (d, J=8.74 Hz, 2H), 8.11 (d, J=8.74 Hz, 2H); 13C NMR (100 MHz, CDCl3) delta 16.1, 18.5, 28.1, 50.6, 52.2, 72.7, 112.1, 118.2, 123.0, 125.5, 126.2, 126.8, 127.1, 128.2, 128.5, 128.9, 133.8, 135.2, 137.7, 140.6, 146.5, 152.6, 156.9, 172.2.

At the same time, in my other blogs, there are other synthetic methods of this type of compound, Methyl 2-bromopropanoate, and friends who are interested can also refer to it.

Reference:
Patent; Zhejiang Hisun Pharmaceutical Co., Ltd.; US2011/319458; (2011); A1;,
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics