Esters-buliding-blocks

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. Recommanded Product: tert-Butyl propiolate

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;,
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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. 42122-75-8, name is Methyl 5-amino-2-chlorobenzoate, This compound has unique chemical properties. The synthetic route is as follows., Recommanded Product: 42122-75-8

Reference Example 54: Methyl 5-(aminosulfonyl)-2-chlorobenzoate (compound S54) To methyl 5-amino-2-chlorobenzoate (16.2 g) in concentrated hydrochloric acid (40 ml)/acetic acid (120 ml) suspension, a sodium nitrite (7.6 g) aqueous solution (20 ml) was added under ice cooling and the mixture was stirred at that temperature for 45 minutes. Next, the inside temperature of the reaction vessel was cooled to – 5C, copper (II) chloride 2-hydrate (3.7 g) and a 21% sulfur dioxide in acetic acid solution (60 ml) were added, and the mixture was raised to room temperature and stirred at 12 hours. Under ice cooling, distilled water was added to the reaction solution, the mixture was stirred at that temperature for 30 minutes, and the precipitate was collected by filtration. The filtrate was dissolved in tetrahydrofuran (50 ml), 28% ammonia water (10 ml) was added under ice cooling, and the mixture was stirred at that temperature for 15 minutes. The tetrahydrofuran was distilled off in vacuo, then ethyl acetate/hexane was added. The precipitate was collected by filtration to obtain the title compound (10.9 g).

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 42122-75-8.

Reference:
Patent; Asubio Pharma Co., Ltd.; Daiichi Sankyo Company, Limited; EP2025672; (2009); 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. 106896-49-5, name is Methyl 4-amino-3-bromobenzoate belongs to esters-buliding-blocks compound, it is a common compound, a new synthetic route is introduced below. Recommanded Product: Methyl 4-amino-3-bromobenzoate

General procedure: PCl5 (0.23 g, 1.1 mmol) was added to an ice-cold solution of compound 6 (0.30 g, 1 mmol) in ether (15 mL). The reaction mixture was stirred at room temperature for 2 h and then was concentrated under reduced pressure. The crude product was dissolved in THF (15 mL). The arylamine (1 mmol) and triethylamine (1.2 mmol) was added to the solution successively. The reaction mixture was stirred at room temperature for 2 h and then was then evaporated under reduced pressure. The residue was chromatographed on silica gel using ethyl acetate:petroleum ether (1:4). Pure fractions were collected and concentrated, giving the desired compound (7a-7o).

The synthetic route of 106896-49-5 has been constantly updated, and we look forward to future research findings.

Reference:
Article; Zhan, Peng; Chen, Xuwang; Li, Xiao; Li, Dongyue; Tian, Ye; Chen, Wenwen; Pannecouque, Christophe; De Clercq, Erik; Liu, Xinyong; European Journal of Medicinal Chemistry; vol. 46; 10; (2011); p. 5039 – 5045;,
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Synthetic Route of 10259-22-0, 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. 10259-22-0, name is Ethyl 3-methoxybenzoate belongs to esters-buliding-blocks compound, it is a common compound, a new synthetic route is introduced below.

Step a1b: compound A5 (3-(3-methoxyphenyl)-N,N,2-trimethyl-3-oxopropanamide)To 2,2,6,6-tetramethylpiperidine (17.5 g, 125 mmol) in 50 ml dry THF were added dropwise 72 ml (115 mmol) of a n-buthyllithium solution in n-hexane (1.6 M) at -30 C. After 30 minutes of stirring, 5.0 g (50 mmol) N,N-dimethylpropionamide (A1) (dissolved in 50 mL dry THF) were added and the mixture was cooled to -70 C. and stirred for 1 h at this temperature. 22.5 g (125 mmol) ethyl-3-methoxybenzoate (dissolved in 30 mL dry THF) were slowly added dropwise and the resulting mixture was stirred for another 2 h at -70 C. After the mixture had been allowed to warm to RT, it was hydrolyzed by employing a diluted aqueous solution of HCl (36 mL). The mixture was then washed with diethyl ether several times. The combined organic layers were dried over MgSO4. The organic solvents were evaporated under reduced pressure and the remaining residue was dried in vacuo. CC (eluent: n-hexane/ethyl acetate (1:4)) yielded 6.5 g (55%) of A5 in form of a colorless oil.

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

Reference:
Patent; Gruenenthal GmbH; US2011/306793; (2011); A1;,
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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. 1245643-11-1, name is Methyl 3,4-diamino-5-bromobenzoate, This compound has unique chemical properties. The synthetic route is as follows., Computed Properties of C8H9BrN2O2

In a sealed glassware, a mixture of intermediate 3a and intermediate 3b (75/25) (10 g; 28.39 mmol), N-boc-2,3-dihydro-lH-pyrrole (6.86 mL; 39.75 mmol) and K2CO3 (11.8 g; 85.18 mmol) in 1,4-dioxane (250 mL) was bubbled with N2. Then, PPh3(1.49 g; 5.68 mmol) and Pd(OAc)2(640 mg; 2.84 mmol) were added. The reaction mixture was heated to 100C for 5h. The reaction mixture was cooled down to rt, poured onto water and extracted with EtOAc. The organic layer was decanted, washed with brine, dried over MgS04, filtered and evaporated to dryness. The residue (21 g) was purified by chromatography over silica gel (irregular SiOH; 20-45 muiotaeta; 450 g; mobile phase: 62%> heptane, 3% MeOH (+10% NH4OH), 35% EtOAc). The pure fractions were collected and evaporated to dryness yielding 2.3 g (17%>, impure) of intermediate 16a and 8.2 g (59%) of intermediate 16a.

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 1245643-11-1.

Reference:
Patent; JANSSEN PHARMACEUTICA NV; ANGIBAUD, Patrick, Rene; QUEROLLE, Olivier, Alexis, Georges; BERTHELOT, Didier, Jean-Claude; MEYER, Christophe; WILLOT, Matthieu, Philippe, Victor; MEERPOEL, Lieven; JOUSSEAUME, Thierry, Francois, Alain, Jean; (114 pag.)WO2018/178280; (2018); A1;,
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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. 42122-75-8, name is Methyl 5-amino-2-chlorobenzoate, A new synthetic method of this compound is introduced below., Recommanded Product: Methyl 5-amino-2-chlorobenzoate

89.1 2-Chloro-5-(6-chloro-pyridazin-3-ylamino)-benzoic acid methyl ester A solution of 3,6-dichloropyridazine (240 mg) and methyl-5-amino-2-chlorobenzoate (299 mg) in EtOH (9 mL) was heated in the microwave for 30 min at 150 C. The reaction was concentrated in vacuo and the crude was purified by CC (Hept/EtOAc 1/0 to 4/6) to give 203 mg of the titled compound as a light yellow solid. LC-MS (B): tR=0.72 min; [M+H]+: 298.06

The synthetic route of 42122-75-8 has been constantly updated, and we look forward to future research findings.

Reference:
Patent; Actelion Pharmaceuticals Ltd.; Hilpert, Kurt; Hubler, Francis; Murphy, Mark; Renneberg, Dorte; US2014/73651; (2014); A1;,
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Reference of 1459-93-4,Some common heterocyclic compound, 1459-93-4, name is Dimethyl isophthalate, molecular formula is C10H10O4, 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.

3-Ethynylaniline (3) (0.6 mL, 5.6 mmol) was dissolved in THF (15 mL) in the presence of n-butyllithium (1.6 M in hexane, 3.5 mL, 5.6 mmol) and the mixture was stirred at -78 C for 30 min, then dimethyl isophthalate (4) (1 g, 5.15 mmol) was added dropwise to the mixture and the solution was stirred overnight under N2. After removing solvent by evaporation, the crude product was purified by recrystallization from methanol to obtain 5 (1.3 g, 4.65 mmol, 90%). 1H NMR (300 MHz, DMSO-d6) delta 8.60 (s, 1H), 8.21 (m, 2H), 7.90 (m, 1H), 7.74 (d, J = 8.13 Hz, 1H), 7.66 (t, J = 7.80, 7.80 Hz, 2H), 7.37 (t, J = 7.88, 7.88 Hz, 1H), 7.28 (d, J =7.69 Hz, 1H), 3.97 (s, 3H), and 3.52 (s, 1H) ppm. 13C NMR (75 MHz, DMSO-d6) delta 166.24, 165. 32, 135.76, 134.33, 133.85, 132.62, 131.03, 130.43, 128.75, 128.44, 126.21, 126.02, 122.11, 121.78, 84.12, 83.78, and 50.07 ppm. ESI-MS m/z: Observed 278.25 [M-H]-, [M-H]- calcd = 278.09.

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

Reference:
Article; Choi, Yeonweon; Jung, Sung Ho; Lee, Areum; Seo, Moo Lyong; Jung, Jong Hwa; Bulletin of the Korean Chemical Society; vol. 36; 6; (2015); p. 1725 – 1728;,
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Synthetic Route of 61644-18-6, A common heterocyclic compound, 61644-18-6, name is Chloromethyl isobutyrate, molecular formula is C5H9ClO2, 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.

Example 9 Preparation of (Z)-(N’-(2,6-dimethylphenyl)-N-(2-(4-(1-(4-(trifluoromethoxy)phenyl)-1H-1,2,4-triazol-3-yl)phenyl)cyclopropyl)-carbamimidoylthio)methyl isobutyrate (Compound 15) To a solution of 1-(2,6-dimethylphenyl)-3-(2-(4-(1-(4-(trifluoromethoxy)-phenyl)-1H-1,2,4-triazol-3-yl)phenyl)cyclopropyl)thiourea (75 mg, 0.143 mmol) in chloroform (CHCl3; 0.72 mL) was added chloromethyl isobutyrate (31.1 mg, 0.172 mmol). The mixture was heated at 100 C. for 1 h. The mixture was cooled to 25 C., and the residue was purified by silica gel chromatography (EtOAc-hexanes gradient) to afford the title compound (17.3 mg, 19%) as a yellow oil: IR vmax 3332 (br), 3124, 2976, 2939, 1739, 1631, 1590, 1518, 1264, 1171, 986 cm-1; 1H NMR (400 MHz, CDCl3) delta 8.54 (s, 1H), 8.09 (d, J=8.3 Hz, 2H), 7.79 (d, J=9.0 Hz, 2H), 7.37 (d, J=8.3 Hz, 2H), 7.20 (d, J=7.2 Hz, 2H), 7.02 (d, J=7.5 Hz, 2H), 6.88 (t, J=7.5 Hz, 1H), 5.65 (br s, 2H), 2.88 (br s, 1H), 2.68-2.52 (m, 1H), 2.10 (s, 6H), 1.82-1.46 (m, 2H), 1.46-1.22 (m, 2H), 1.22-1.18 (m, 6H); ESIMS m/z 624 (M+H).

The synthetic route of 61644-18-6 has been constantly updated, and we look forward to future research findings.

Reference:
Patent; DOW AGROSCIENCES LLC; Crouse, Gary D.; Lambert, William T.; Sparks, Thomas C.; Hegde, Vidyadhar B.; US2012/202688; (2012); A1;,
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Related Products of 25597-16-4,Some common heterocyclic compound, 25597-16-4, name is Ethyl 4,4,4-trifluorocrotonate, molecular formula is C6H7F3O2, 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.

[0714] To a solution of 6.0 g (24 mmol) OF 2-HYDROXY-5-IODOBENZALDEHYDE and 5 mL (33.3 mmol) of ethyl 4,4, 4-trifluorocronate in 20 mL of dry DMF at 60 C was added potassium carbonate in one portion. The mixture was stirred at 60 C overnight. After cooling to room temperature, the solid was filtered and washed with EtOAc. The combined filtrates were diluted by addition with 300 mL EtOAc and washed with brine. The organic phase was dried over anhydrous magnesium sulfate and evaporated to afford an oil, which was further purified silica gel chromatography with EtOAc/hexane (1: 9). Concentration of the desired fractions afforded 4.7 g (49%) of a light yellow solid : H NMR (CDCL3/300 MHz) 7.65-7. 55 (m, 3H), 6.78 (d, J=8. 4Hz, 1H), 5.72 (q, J=6. 6 Hz, 1H), 4.34 (m, 2H), 1.37 (t, J=6. 9 Hz, 3H). MS (ES+) 398.9 (M+H, 100).

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

Reference:
Patent; PHARMACIA CORPORATION; WO2004/87686; (2004); A2;; ; Patent; PHARMACIA CORPORATION; WO2004/87687; (2004); A1;,
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Application of 58656-98-7, These common heterocyclic compound, 58656-98-7, name is tert-Butyl 4-fluorobenzoate, 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.

tert-butyl 4-(4-hydroxy-4-phenylpiperidin-1-yl)benzoate A solution of 4-hydroxy-4-phenyl piperidine (221 mg, 1.25 mmol) in DMSO (1 mL) was treated with tert-butyl-4-fluorobenzoate (196 mg, 1.00 mmol) and powdered potassium carbonate (173 mg, 1.25 mmol), stirred vigorously at 125 C. for 16 hours, cooled to room temperature, diluted with diethyl ether, washed with brine, dried (MgSO4), filtered, and concentrated to provide the desired product. MS (DCI(+)) m/e 354 (M+H)+.

Statistics shows that tert-Butyl 4-fluorobenzoate is playing an increasingly important role. we look forward to future research findings about 58656-98-7.

Reference:
Patent; Augeri, David J.; Baumeister, Steven A.; Bruncko, Milan; Dickman, Daniel A.; Ding, Hong; Dinges, Jurgen; Fesik, Stephen W.; Hajduk, Philip J.; Kunzer, Aaron R.; McClellan, William; Nettesheim, David G.; Oost, Thorsten; Petros, Andrew M.; Rosenberg, Saul H.; Shen, Wang; Thomas, Sheela A.; Wang, Xilu; Wendt, Michael D.; US2002/55631; (2002); A1;; ; Patent; Augeri, David J.; Baumeister, Steven A.; Bruncko, Milan; Dickman, Daniel A.; Ding, Hong; Dinges, Jurgen; Fesik, Stephen W.; Hajduk, Philip J.; Kunzer, Aaron R.; McClellan, William; Nettesheim, David G.; Oost, Thorsten; Petros, Andrew M.; Rosenberg, Saul H.; Shen, Wang; Thomas, Sheela A.; Wang, Xilu; Wendt, Michael D.; US2002/86887; (2002); A1;,
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