Category: esters-buliding-blocks

Synthetic Route of 26218-04-2, The chemical industry reduces the impact on the environment during synthesis 26218-04-2, name is 2-Ethylhexyl 4-aminobenzoate, I believe this compound will play a more active role in future production and life.

In a reactor, cyanuric chloride (18.4 g, 0.1 mole) is dissolved in 150 ml of acetone at 0 C.-5 C. Sodium bicarbonate (10.6 g, 0.1 mole) is added, then a solution of 2-ethylhexyl para-aminobenzoate (24.9 g, 0.1 mole) dissolved in 150 ml of acetone is added drop by drop at a temperature below 10 C. in 10 minutes. Next the heterogeneous mixture is left for 3 hours at laboratory temperature. 500 ml of water are poured in. The precipitate formed is filtered off, then washed with water. After drying under vacuum, 38 g of an off-white solid are obtained. After recrystallization of this solid from 1,2-dichloroethane, 25.2 g (yield 63%) of 2,4-dichloro-6-(2-ethylhexyl 4′-aminobenzoate)-s-triazine are obtained in the form of a white powder: UV (Ethanol/DMSO): lambdamax=291 nm, E1%=732, and used as such in the following stage.

In the field of chemistry, the synthetic routes of compounds are constantly being developed and updated. I will also mention this compound in other articles, 2-Ethylhexyl 4-aminobenzoate, other downstream synthetic routes, hurry up and to see.

Reference:
Patent; L’OREAL; US2008/8669; (2008); A1;,
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Some common heterocyclic compound, 13831-03-3, name is tert-Butyl propiolate, molecular formula is C7H10O2, 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. SDS of cas: 13831-03-3

0.2mmol added benzenesulfonyl hydrazide in the reactor, 0.2mmol of t-butyl propiolate, 5.0 mol% palladium acetate, 5.0 mol% dppp, 0.4 mmol copper acetate, 15 mol% beta-aminopropionic acid,2.0mL DMF and DMAc mixed solvent (volume ratio [3: 1]). In a nitrogen atmosphere, heat to 80 C and continue stirring for 0.5h to stop the reaction and cool to room temperature.Washed with saturated NaCl, then extracted with ethyl acetate, dried,The solvent was removed by distillation under reduced pressure, and the crude product was separated by column chromatography to obtain the target product with a yield of 78%.

These compound has a wide range of applications. It is believed that with the continuous development of the source of the synthetic route 13831-03-3, its application will become more common.

Reference:
Patent; Hunan University; Zhou Yongbo; Liu Lixin; Su Lebin; Dong Jianyu; Yin Shuangfeng; (9 pag.)CN110698368; (2020); A;,
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

In the next few decades, the world population will flourish. As the population grows rapidly and people all over the world use more and more resources, all industries must consider their environmental impact. 59247-47-1, name is tert-Butyl 4-bromobenzoate belongs to esters-buliding-blocks compound, it is a common compound, a new synthetic route is introduced below. name: tert-Butyl 4-bromobenzoate

To a solution of (E)-styrylboronic acid (289 mg, 1.95 mmol) in mixed solution of dioxane and water (4:1, 15 mL) were added tert-butyl 4-bromobenzoate (500 mg, 1.95 mmol), tetrakis(triphenylphosphine)palladium (225 mg, 0.2 mmol) and sodium carbonate (622 mg, 5.9 mmol). The mixture was stirred at 90° C. under nitrogen atmosphere for 18 hours. Once start material has been consumed, the mixture was concentrated to give a residue and the residue was purified by column chromatography (silica gel, petroleum ether/ethyl acetate=25:1) to give (E)-tert-butyl 4-styrylbenzoate (0.1 g, 18percent). The product was used for the next step directly without further purification.

The synthetic route of 59247-47-1 has been constantly updated, and we look forward to future research findings.

Reference:
Patent; Constellation Pharmaceuticals, Inc.; Albrecht, Brian K.; Audia, James Edmund; Cook, Andrew S.; Gagnon, Alexandre; Harmange, Jean-Christophe; Nasveschuk, Christopher G.; US9206128; (2015); B2;,
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

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. 3196-15-4, name is Methyl 2-bromobutyrate, A new synthetic method of this compound is introduced below., Recommanded Product: Methyl 2-bromobutyrate

Double-benzyl-isoquinoline (Formula in, X = Br) 6.85g, 2- bromo-7-bromo-butyrate weighed 4.50g wasdissolved in N, N- dimethyl Formamide 100mL, 500mL three-neck flask was added, mixed by stirring, cooled to-10 C, and the reaction was stirred 24h incubation After filtration, filtrate was washed with a small amount of5% hydrobromic acid and, the solvent was distilled off under reduced pressure to a volume of the liquid reducedto 1/4, crystallization at room temperature 8h, Filtered and the filtrate evaporated under reduced pressure to 50%of water, cooled to 5 C to crystallize overnight, filtered and the solid was dried at 60 C 4h, to give the lightThe product 5.20g yellow powder in a yield of 70.29%, a purity of 96.47% (HPLC).

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; Shandong Normal University; LIU, YUFA; ZHANG, MENG; MAO, FEIFEI; CHEN, DONGMEI; ZHANG, JINE; (22 pag.)CN103910740; (2016); B;,
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

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. 55666-43-8, name is tert-Butyl 3-bromopropanoate, A new synthetic method of this compound is introduced below., Application In Synthesis of tert-Butyl 3-bromopropanoate

Description 8: 3- (4-Ethvl-2, 3-dioxo-piperazin-1-vl) propionic acid tert-butvl ester A suspension of 2-tert-butylimino-2-diethylamino-1, 3-dimethyl-perhydro-1, 3,2- diazaphosphorine on polystyrene (BEMP resin, loading 2. 3mmol/g, 0.54g) in acetonitrile (3ml) was treated with 1-ethyl-piperazine-2, 3-dione (0. 071 g) and tert- butyl-3-bromopropionate (0. 125g), and the mixture shaken at 22 for 16h. The resin was filtered off and washed with acetonitrile, and the filtrate and washings combined and evaporated in vacuo to give a white solid. The solid was applied in chloroform to a silica gel cartridge (Varian Bond Elut, 2g), and eluted sequentially with chloroform, ether, ethyl acetate and acetone. The acetone fraction was evaporated to give Description 8 as a white solid (0. 104g).

The synthetic route of 55666-43-8 has been constantly updated, and we look forward to future research findings.

Reference:
Patent; GLAXO GROUP LIMITED; WO2003/82863; (2003); A1;,
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Adding a certain compound to certain chemical reactions, such as: 90030-48-1, name is Sodium 3-methoxy-3-oxopropane-1-sulfinate, belongs to esters-buliding-blocks compound, can increase the reaction rate and produce products with better performance than those obtained under traditional synthetic methods. Here is a downstream synthesis route of the compound 90030-48-1, Recommanded Product: Sodium 3-methoxy-3-oxopropane-1-sulfinate

Compound 81-4 (50 mg, 0.14 mmol, 1.0 eq), compound 81-4a (71 mg, 0.41 mmol, 3.0 eq) and Cul (129 mg, 0.679 mmol, 5.0 eq) were taken up into a microwave tube in DMSO (1.5 mL). The sealed tube was heated at 110 C for 1 hour under microwave. The mixture was diluted with water (10 mL) and EA (30 mL). The suspension was filtered and the filtrate was separation, the water layer was extracted with EA (20 mL * 2). The combined organic layers were dried over Na2SC>4, filtered and concentrated to dryness under reduced pressure. The residue was purified by column chromatography over silica gel to afford the title compound 81-5 (40 mg, 75% yield). LCMS (ESI): RT = 0.813 min, mass calcd. for (1094) C18H24N4O4S 392.15, m/z found 393.0 [M+H]+.

In the field of chemistry, the synthetic routes of compounds are constantly being developed and updated. I will also mention this compound in other articles, Sodium 3-methoxy-3-oxopropane-1-sulfinate, other downstream synthetic routes, hurry up and to see.

Reference:
Patent; VIVACE THERAPEUTICS, INC.; KONRADI, Andrei W.; LIN, Tracy Tzu-Ling Tang; (294 pag.)WO2019/40380; (2019); A1;,
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Adding a certain compound to certain chemical reactions, such as: 18595-12-5, name is Methyl 5-amino-2-methylbenzoate, belongs to esters-buliding-blocks compound, can increase the reaction rate and produce products with better performance than those obtained under traditional synthetic methods. Here is a downstream synthesis route of the compound 18595-12-5, HPLC of Formula: C9H11NO2

Combine methyl 2-methyl-5-aminobenzoate (4.5 g, 27.2 mmol) and triethyl orthoformate (16.2 g, 109 mmol) in glacial acetic acid (25 mL). After 12 hours, add portionwise sodium azide (7.08 g, 109 mmol). Heat to 70 C. After 2 hours, cool the reaction mixture to ambient temperature, dilute with water (250 mL). Collect the solid by filtration, rinse with water, and dry to give methyl 2-methyl-5-(1H-tetrazol-1-yl)benzoate: Rf=0.13 (silica gel, ethyl acetate/hexane 1/4).

If you are interested in these compounds, you can also browse my other articles.Thank you for taking the time to read this article. I hope you enjoyed it.

Reference:
Patent; Maynard, George D.; Le, Tieu-Binh; US2001/34343; (2001); A1;; ; Patent; Aventis Pharmaceuticals Inc.; US6194406; (2001); B1;,
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Related Products of 110-38-3,Some common heterocyclic compound, 110-38-3, name is Ethyl caprate, molecular formula is C12H24O2, 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.

EXAMPLE 16 (PREPARATION OF DECANOL) A dry Schlenk tube under argon was charged with 51 mg (0.15 mmol) of dysprosium (III) isopropoxide. Triethoxysilane (1.4 mL, 7.5 mmol) and ethyl decanoate (696 muL, 3 mmol) were added and the reaction mixture was heated to 60 C. After 29 hours, GLC analysis of an aliquot taken from the reaction mixture showed 23% conversion. The reaction mixture was then heated to 70 C. After an additional 3 days, THF (8 mL) and aqueous NaOH (1 N, 15 mL) were added, and the mixture was stirred vigorously for 3 hours. The reaction was worked up as in Example 13. Purification by flash chromatography (ether:hexane=3:7) afforded 224 mg (47% yield) of decanol (>95% pure by 1 H-NMR analysis) and 40 mg of recovered starting material (84% pure, 5.5% yield).

These compound has a wide range of applications. It is believed that with the continuous development of the source of the synthetic route Ethyl caprate, its application will become more common.

Reference:
Patent; Massachusetts Institute of Technology; US5220020; (1993); A;,
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Some common heterocyclic compound, 87639-57-4, name is Dimethyl 4-bromophthalate, molecular formula is C10H9BrO4, 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. HPLC of Formula: C10H9BrO4

Example 1; Compound No. 1: Synthesis of 4-phenyl ethynyl dimethyl phthalate; Under a nitrogen gas stream, 24.6 g of 4-bromo-dimethyl phthalate, 11.03 g of ethynyl benzene, 71 mg of triphenylphosphine, 20 mg of trans-dichloro-bis (triphenylphosphine)palladium (II) and 171 mg of cuprous iodide were placed in a three-necked flask of 300-ml capacity and, then, 60 ml of triethylamine was poured therein while stirring. The reaction mixture was refluxed for 12 hours while heating at 100 C., cooled to room temperature and, thereafter, the resultant reaction solution was filtered to remove formed salts and catalysts and, then, washed with 60 ml of toluene. The filtrate and a rinsing solution were combined and concentrated, to obtain 25.1 g of a crude crystal of 4-phenyl ethynyl diethyl phthalate. The thus-obtained crude crystal was recrystallized from a mixed system comprising 2-propanol/n-hexane (50 ml/100 ml), to thereby obtain 22.9 g of 4-phenyl ethynyl diethyl phthalate. The yield thereof was 86.4%. 1H-NMR (CDCl3): 3.92 ppm (s, 3H), 3.93 ppm (s, 3H), 7.36 to 7.39 ppm (m, 3H), 7.52 to 7.56 ppm (m, 2H), 7.66 ppm (q, 1H), 7.75 ppm (d, 1H), 7.85 ppm (d, 1H) IR vmax (KBr): 1269 (s), 1604 (m), 1724 (s), 2210 (w), 2950 (w), 3003 (w) cm-1 MS: m+/z=295 Melting point: 76.9 C. to 77.4 C.

These compound has a wide range of applications. It is believed that with the continuous development of the source of the synthetic route 87639-57-4, its application will become more common.

Reference:
Patent; FUJI PHOTO FILM CO., LTD.; US2005/215820; (2005); A1;,
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

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. 927-68-4, name is 2-Bromoethyl acetate, A new synthetic method of this compound is introduced below., category: esters-buliding-blocks

(1) Synthesis of (+-)-1-(2-acetoxyethyl)-2-oxocyclopentanecarboxylic acid methyl ester To a dry acetone solution (500 ml) containing 31.0 g (0.218 moles) of 2-oxocyclopentanecarboxylic acid methyl ester and 40.0 g (0.240 moles) of 2-bromoethyl acetate, 45 g (0.326 moles) of potassium carbonate was added to prepare a suspension, and the prepared suspension was stirred at 60C for 24 hours. After the suspension was cooled to the room temperature by leaving standing, the suspension was filtered. The filtrate was diluted with ethyl acetate (500 ml), washed with hydrochloric acid (0.1 mole/liter), water and a saturated aqueous solution of sodium chloride, dried over sodium sulfate and concentrated under a reduced pressure. The obtained residue was purified in accordance with the silica gel column chromatography using a hexane/ethyl acetate mixed solvent (the ratio of the amounts by volume: 3/1) as the elution solvent, and 34.8 g (0.152 moles) of (+-)-1-(2-acetoxyethyl)-2-oxocyclopentanecarboxylic acid methyl ester was obtained as a colorless transparent liquid substance. The yield was 70%. The analytical data of the obtained compound are shown in the following. FTIR (CHCl3): 2958, 1735, 1435, 1232 1H-NMR (400 MHz): 4.19 (dt, J=11.2, 6.8 Hz, 1H), one of -CH2OAc, 4.08 (dt, J=11.2, 6.8 Hz, 1H), one of -CH2OAc, 3.70 (s, 3H), -CO2CH3, 2.56 (ddd, J=12.6, 6.8, 2.0 Hz, 1H), one of -CH2-C=O, 2.45 (dd, J=6.8, 4.8 Hz, 1H); 2.41 (d, J=8.4, 4.8 Hz, 1H), 2.31 (dd, J=14.4, 6.8 Hz, 1H), 2.25 (dd, J=14.4, 8.4 Hz, 1H), 2.00 (s, 3H).-OCOCH3, 2.06-1.67 (m, 3H) 13C-NMR (100 MHz): 213.8 (C) carbon of ketone C=O, 170.8 (C) carbon of ester C=O, 170.6 (C) carbon of ester C=O, 60.9 (CH2) methylene carbon adjacent to OAc, 58.5 (C) quaternary carbon, 52.7 (CH3) methyl carbon of ester of CO2Me, 37.5 (CH2), 32.8 (CH2), 32.5 (CH2), 20.9 (CH3) methyl carbon of acetate, 19.7 (CH2) HRMS (EI): Calcd. for C11H16O5 (M+) 228.0998, Found: 228.0979

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; ZEON CORPORATION; EP1719746; (2006); A1;,
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics