Category: esters-buliding-blocks

Related Products of 252881-74-6, Each compound has different characteristics, and only by selecting the characteristics of the compound suitable for a specific situation can the compound be applied on a large scale. 252881-74-6, name is tert-Butyl 3-(2-(2-(2-aminoethoxy)ethoxy)ethoxy)propanoate, This compound has unique chemical properties. The synthetic route is as follows.

[00229j Synthesis of N- [(PEG)3-COO-t-Buj -N?-Boc-N?-methyl-ethylene-diamine.To the solution of t-Bu-(PEG)3-amine (1 .01 g , 3.64 mmol) in 20 ml of methanol, (N-methyl)-N-Boc acetaldehyde(0.63 g, 3.64 mmol) was added. The mixture was stirred at room temperature for 3 hours. NaBH4 (0.412g, 10.9 mmol) was added to the mixture at 0C, and the resultant mixture was stirred at 0 C for 1 hour and 1 hour at room temperature. The reaction was quenched by adding 5 ml of water. After removal of solvent, 5 ml of water was added, and the mixture was extracted three times with methylene chloride. The combined organic layer was dried over Na2SO4, and the product was purified by flash silica chromatography using heptane/ethyl acetate to methylene chloride/methanol to give a yield of 72% (1.14 g). ?H NMR (300 MHz, CD2C12) oe ppm: 3.68 (t, 2H, OCH2), 3.56-3.60 (br, 1OH, CH2), 3.53 (t, 2H, OCH2), 3.29 (t, 2H, CH2), 2.85 (s, 3H, NCH3), 2.7-2.8 (m, 4H, NCH2), 2.47 (t, 2H, COCH2), 1.44 (s, 18H, CH3); MS-ESI (mle):435.5 [M+H].

The chemical industry reduces the impact on the environment during synthesis tert-Butyl 3-(2-(2-(2-aminoethoxy)ethoxy)ethoxy)propanoate. I believe this compound will play a more active role in future production and life.

Reference:
Patent; PROMEGA CORPORATION; MUSTAFA, Dana; ZHOU, Wenhui; MEISENHERMIER, Poncho; DUELLMAN, Sarah; MA, Dongping; CALI, James, J.; WO2015/116867; (2015); A1;,
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Adding a certain compound to certain chemical reactions, such as: 13195-64-7, name is Diisopropyl malonate, 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 13195-64-7, name: Diisopropyl malonate

(1) Using 830 mmol of sodium hydride as a catalyst,200 mmol of diisopropyl malonate with440 mmol of propargyl bromide was added to the column210 mL of anhydrous acetonitrile in ice water bath,Stirring reaction for 8 hours,The product was washed with water,Extracted with ethyl acetate,Decompression spin dry,getBrownyellowSolid product,I.e. Compound 1;

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

Reference:
Patent; Anhui Normal University; Hu Yimin; Xu Xiaoliang; (20 pag.)CN106866639; (2017); A;,
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In the chemical reaction process, reaction time, type of solvent, can easily affect the result of the reaction, thereby determining the yield and properties of the reaction product. An updated downstream synthesis route of 41248-23-1 as follows. Recommanded Product: 41248-23-1

(1) cyclopentanone as raw material, the cyanohydrin reaction, the cyanide hydrolysis esterification to give hydroxycyclopentyl formate;(2) sulfonation reaction: synthesis of phenylacetyl chloride; docking ring reaction: the steps The resulting hydroxycyclopentanecarboxylic acid ethyl ester,Step (2) The resulting phenylacetyl chloride,Ethanol,After heating up,Slowly drop the concentration of 20%Ethanol sodium ethanol solution,After the reaction, ethanol was distilled off under reduced pressure,And then dropping the concentration of 20% hydrochloric acid,4-hydroxy-3-phenyl-1-oxaspiro [4.4] non-3-en-2-one obtained by filtration, the reaction equation is as follows:

According to the analysis of related databases, 41248-23-1, the application of this compound in the production field has become more and more popular.

Reference:
Patent; ShandongOriental Pesticide Technology Industrial Co., Ltd; LI, YUAN; YU, LEXIANG; LI, LEI; SHI, LONGPING; SUN, FUJIANG; (27 pag.)CN106432163; (2017); A;,
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These common heterocyclic compound, 136333-97-6, name is Methyl 4-(2-bromoethyl)benzoate, 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 C10H11BrO2

EXAMPLE 13({[(1Z)-2,2-Diethyl-1-oxidohydrazono]amino}oxy)methyl 4-{2-[({2-chloro-5-[(2-methyl-2,3-dihydro-1H-indol-1-yl)carbamoyl]phenyl}sulphonyl)amino]ethyl}benzoateStep A: Methyl 4-{2-[(tert-butoxycarbonyl)({2-chloro-5-[(2-methyl-2,3-dihydro-1H-indol-1-yl)carbamoyl]phenyl}sulphonyl)amino]ethyl}-benzoateDissolve the compound obtained in Step A of Example 1 (1.04×10-2 mol) in acetonitrile (20 ml) and place the solution under stirring. Add diisopropylethylamine (1.24×10-2 mol) and then, after stirring for 10 minutes, intermediate 9 (2.20×10-2 mol) dissolved in acetonitrile (20 ml). Heat the mixture at 60 C. After 5 days, the reaction mixture is evaporated to dryness under reduced pressure. The residue obtained is chromatographed on a silica column using as eluant a 75/25 n-heptane/ethyl acetate mixture.The title product is obtained in the form of a pale yellow meringue.

The synthetic route of Methyl 4-(2-bromoethyl)benzoate has been constantly updated, and we look forward to future research findings.

Reference:
Patent; LES LABORATOIRES SERVIER; US2010/286225; (2010); A1;,
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Reference of 394-35-4,Some common heterocyclic compound, 394-35-4, name is Methyl 2-fluorobenzoate, molecular formula is C8H7FO2, 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.

5-amino-4-methylpyrimidine (5g, 45 mmol) was dissolved in 200 mL THF and cooled to -20°C. A solution of n-BuLi (112.5 mmol) was added over 10 minutes and the solution was kept at -20°C for 30 min, then warmed to room temp and stirred for 3h. It was then cooled to -40°C and to it was added methyl-2-fluorobenzoate (1.75 mL, 13.7 mmol) and the solution stirred at -40°C for 30 min and then warmed to room temp for lh. 50 mL of methanol was then added over 5 min, followed by 6N aq HC1. The solution was stirred for 18h at room temp. It was then neutralized with NaHC03 to pH 8 and then diluted with ethyl acetate and water. The organics were washed with water three times and then brine and dried over sodium sulfate and concentrated in vacuo.The crude material was purified by flash chromatography using 10percent methanol/ DCM. 1.5 g of product was isolated as a yellow solid (16percent). 1H-NMR: (<3/4-DMSO, 400 MHz) delta 12.22 (s, 1H), 8.86 (s, 1H), 8.83 (s, 1H), 7.98(dt, 1H), 7.46 (m, 1H), 7.38 (m, 2H), 7.02(s, 1H) LC/MS: calculated for Ci2H8FN3: 213.2; found 214.10 (M+H)+. These compound has a wide range of applications. It is believed that with the continuous development of the source of the synthetic route Methyl 2-fluorobenzoate, its application will become more common. Reference:
Patent; GILEAD SCIENCES, INC.; BJORNSON, Kyla; BONDY, Steven, S.; CHOI, You-chul; CHOU, Chien-hung; MISHRA, Ruchika; TRENKLE, James, D.; TSE, Winston, C.; VIVIAN, Randall, W.; WO2011/146817; (2011); A1;,
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Reference of 13671-00-6, These common heterocyclic compound, 13671-00-6, name is Methyl 2,6-difluorobenzoate, 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.

Reference Example 1 Synthesis of 1-(2,6-difluorophenyl)-2-(thiophen-2-yl)ethan-1-one To 100 ml of a THF solution containing 10.00 g of 2-(thiophen-2-yl)acetic acid was added dropwise 118.5 ml of a 1.9 mol/L THF solution of hexamethyldisilazane sodium at -78 C. and the mixture was stirred for 1 hour. Then, 20 ml of a THF solution containing 12.11 g of methyl 2,6-difluorobenzoate was added dropwise thereto, then, the temperature of the mixture was raised from -78 C. to room temperature and stirred for 2.5 hours. To the mixture was added an aqueous saturated ammonium chloride solution followed by stirring for 1 hour. Thereafter, ethyl acetate were added and the liquids were separated. The obtained organic layer was washed with saturated brine, and dried over magnesium sulfate. After the solvent was distilled off under reduced pressure, the obtained residue was purified by silica gel column chromatography. The title compound was obtained as 10.35 g of a red oily product. 1H-NMR (CDCl3) delta: 7.39 (1H, m), 7.22 (1H, m), 6.95 (4H, m), 4.36 (1H, s).

The synthetic route of 13671-00-6 has been constantly updated, and we look forward to future research findings.

Reference:
Patent; MITSUI CHEMICALS AGRO, INC.; UMETANI, Hideki; OKAYA, Shun; IKISHIMA, Hideaki; FUKUMOTO, Takeshi; NISHIDA, Akihiro; YANAGI, Masanori; NAITO, Ryohei; MASUTOMI, Koji; SHIRAKAWA, Tomomi; SAKURADA, Akane; YUTANI, Satoshi; (368 pag.)US2020/45968; (2020); A1;,
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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. 15848-22-3, name is 5-Bromopentyl acetate belongs to esters-buliding-blocks compound, it is a common compound, a new synthetic route is introduced below. Application In Synthesis of 5-Bromopentyl acetate

1- (4-METHOXY-PHENYL)-3-TRIFLUOROMETHYL-1, 4,5, 6-tetrahydro- pyrazolo [3,4-c] pyridin-7-one (0.500 g, 1.606 mmol) was dissolved in N, N- DIMETHYLFORMAMIDE (20 mL) and cooled to 0 OC. Sodium hydride (60%, 0.161 g, 4.016 mmol) was added followed by 5-BROMOPENTYL acetate (0.535 mL, 3.213 MMOL). The reaction was stirred at rt overnight, quenched with IN hydrochloric acid (100 mL), EXTRACTED WITH ETHYL ACETATE (3100 ML), WASHED WITH WATER (2X1100 L), washed with brine (1X100 mL), dried over MGSO4, concentrated, and purified by flash CHROMATOGRAPHY USING 0-100% ETHYL ACETATE/HEXANES gradient as the eluent to afford 6- [1- (4-METHOXY-PHENYL)-7-OXO-3-TRIFLUOROMETHYL-1, 4,5, 7-TETRAHYDRO- pyrazolo [3, 4-c] pyridin-6-yl]-hexanoic acid methyl ester (0.699 g, 99%). The ester (0.800 g, 1. 82 mmol) was dissolved in tetrahydrofuran (40 mL), 1M lithium borohydride (3.64 ML, 3.64 mmol) was added, and the reaction was refluxed overnight. The reaction was quenched with water (150 mL), extracted with ethyl acetate (3X150 ML), washed with brine (1X150 mL), dried over MGSO4, concentrated, and purified by flash chromatography using 0-100% ethyl ACETATE/HEXANES as the eluent to afford 0.478 g (64%): 1H NMR (CDCl3) 8 7.44 (d, j=8. 8 Hz, 2H), 6.96 (d, j=9.2 Hz, 2H), 3.84 (s, 3H), 3.67 (t, j=6. 8 Hz, 2H), 3.61 (t, j=6. 4 Hz, 2H), 3.47 (t, j=7. 5 Hz, 2H), 3.00 (t, j=6. 8 Hz, 2H), 1.65-1. 50 (m, 4H), 1.45-1. 30 (m, 4H) ppm.

The synthetic route of 15848-22-3 has been constantly updated, and we look forward to future research findings.

Reference:
Patent; BRYSTOL-MYERS SQUIBB COMPANY; WO2004/83177; (2004); A2;,
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Each compound has different characteristics, and only by selecting the characteristics of the compound suitable for a specific situation can the compound be applied on a large scale. 120-51-4, name is Benzyl benzoate, This compound has unique chemical properties. The synthetic route is as follows., category: esters-buliding-blocks

General procedure: In a glove box, add a ruthenium complex Ia (0.3 to 0.7 mg, 0.0002 to 0.001 mmol) to a 300 mL autoclave,Potassium methoxide (35-700 mg, 0.5-10 mmol), tetrahydrofuran (4-60 mL), and ester compounds (10-200 mmol).After sealing the autoclave, take it out of the glove box and fill it with 50 100atm of hydrogen.The reaction kettle was heated and stirred in an oil bath at 100 C for 10 to 336 hours.After the reaction kettle was cooled in an ice-water bath for 1.5 hours, the excess hydrogen was slowly released.The solvent was removed from the reaction solution under reduced pressure, and the residue was purified with a short silica gel column to obtain an alcohol compound. The results are shown in Table 5.

Chemical properties determine the actual use. Each compound has specific chemical properties and uses. We look forward to more synthetic routes in the future to expand reaction routes of 120-51-4.

Reference:
Patent; Zhejiang Zhongke Chuangyue Pharmaceutical Co., Ltd.; Ding Kuiling; Tang Yitian; Han Zhaobin; (55 pag.)CN110357923; (2019); A;,
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Electric Literature of 1459-96-7,Some common heterocyclic compound, 1459-96-7, name is Dimethyl bicyclo[2.2.2]octane-1,4-dicarboxylate, molecular formula is C12H18O4, 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.

At atmospheric conditions, 0.1 g of the Milstein catalyst precursor [2-(Di-tert- butylphosphinomethyl)-6- (0259) (diethylaminomethyl)pyridine]carbonylchlorohydridoruthenium(ll), 30 mg of potassium hydroxide, 2.5g of dimethyl bicyclo[2.2.2]octane-1 ,4-dicarboxylate and 50 imL of p- xylene were added to a 100 imL autoclave reactor. The reactor was then purged three times by pressurizing with nitrogen to 200 psig, then venting the pressure to atmospheric each time. The reactor was then purged three times by pressurizing with hydrogen to approximately 300 psig, then venting the pressure to atmospheric each time. Agitation at 800 rpm was then commenced, and hydrogen was then added to bring the pressure to 750 psig. The temperature was then increased to 140 C while allowing pressure to rise. After the temperature reaches 140 C, the hydrogen pressure was increased to 1000 psig. These conditions (140 C and 1000 psig) were held for 8 hours of reaction. After 8 hours of reaction, the agitation was stopped and the heat turned off to let the autoclave start cooling. After cooling to room temperature, pressure was released, and the contents were purged with nitrogen gas and vented. The solution was finally discharged from the autoclave and analyzed by GC-MS and 1H NMR. The conversion of dimethyl bicyclo[2.2.2]octane-1 ,4-dicarboxylate is 94%; the selectivity of bicyclo[2.2.2]octane-1 ,4-diyldimethanol is 93%; and the selectivity of methyl 4-(hydroxymethyl)bicyclo[2.2.2]octane-1 -carboxylate is 7%.

The synthetic route of 1459-96-7 has been constantly updated, and we look forward to future research findings.

Reference:
Patent; EASTMAN CHEMICAL COMPANY; HU, Yue, Rachel; HEMBRE, Robert, Thomas; TUSTIN, Gerald, Charles; LIU, Zhufang; ADAMS, Steven, J.; CLARKSON, Jasper, Randle; (59 pag.)WO2019/75004; (2019); 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. 3618-04-0, name is trans-Ethyl 4-hydroxycyclohexanecarboxylate, A new synthetic method of this compound is introduced below., Recommanded Product: trans-Ethyl 4-hydroxycyclohexanecarboxylate

To a solution of ethyl 4-hydroxycyclohexane-1-carboxylate (10 g, 58.06 mmol) in dichloromethane (25 mL) was added triethylamine (13 g, 128.47 mmol) slowly at room temperature. After stirring for additional 20 min, TBDMSC1 (24.9 g, 87.09 mmol) was slowly added. The resulting reaction mixture was then stirred at room temperature for 40 h. The reaction mixture was quenched by the addition of water (100 mL) and extracted with dichloromethane (100 mL×2). The organic phases were combined, washed with brine and dried over Na2SO4. The solvent was removed under reduced pressure and the residue was purified by flash chromatography eluting with EtOAc in hexane (1% to 10% gradient) to yield ethyl 4-[(tert-butyldimethylsilyl)oxy]cyclohexane-1-carboxylate as yellow oil (7.5 g, 45%).

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; Merck Patent GmbH; SHERER, Brian A.; (167 pag.)US2016/75711; (2016); A1;,
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics