Esters-buliding-blocks

3697-68-5, name is Ethyl 1-(hydroxymethyl)cyclopropanecarboxylate, 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. Computed Properties of C7H12O3

To a solution of Preparation 232 1-hydroxymethyl-cyclopropanecarboxylic acid ethyl ester (3.00 g, 21.00 mmol) in dichloromethane (50 ml), at 0 C., was added saturated sodium hydrogen carbonate solution (50 ml), followed by TEMPO (659 mg, 4.00 mmol) and sodium bromide (400 mg, 4.00 mmol). After stirring for 5 min, sodium hypochlorite solution (10%, 14.00 mmol) was added slowly, followed by saturated sodium thiosulphate solution (50 ml). The two layers were separated and the aqueous layer was extracted with dichloromethane. The combined organic phases were dried (MgSO4) and concentrated in vacuo to give the titled compound (3.00 g). 1H-NMR (CDCl3): 1.25-1.35 (3H), 1.55-1.64 (4H), 4.21-4.30 (2H), 10.39-10.41 (1H)

The synthetic route of 3697-68-5 has been constantly updated, and we look forward to future research findings.

Reference:
Patent; Billen, Denis; Boyle, Jessica; Critcher, Douglas James; Gethin, David Morris; Hall, Kim Thomas; Kyne, Graham Michael; US2006/287365; (2006); 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. 10602-03-6, name is Ethyl 4-ethynylbenzoate, This compound has unique chemical properties. The synthetic route is as follows., Product Details of 10602-03-6

General procedure: n-BuLi (4.70mL, 1.6M in hexane, 7.57mmol, 1.0equiv) was added dropwise to a solution of acetylene (7.57mmol, 1.0equiv) in 7.6mL of dry THF at -78C under a nitrogen atmosphere. After 60min at this temperature, trimethylborate (1.10g, 11.3mmol, 1.5equiv) was added dropwise at -30C. The mixture was stirred at this temperature for 60min and slowly allowed to warm to room temperature within another 60min. A saturated 4.5M aqueous solution of potassium hydrogen difluoride (KHF2) (10.1mL, 45.3mmol, 6.0equiv) was added at -20C to the vigorously stirred solution. The resulting mixture was continued to stir for 60min at -20C after which it was allowed to warm to room temperature for 60min. The solvent was removed under reduced pressure, and the resulting white solid was dried under high vacuum to remove water. The solid was washed first with acetone and then with hot acetone. The solution was concentrated to afford a white solid. The solid was dissolved in minimum amount of hot acetone, precipitated by adding methyl tert-butyl ether (MTBE), after which the solution was cooled to -20C to complete precipitation of the solid. The product was collected as an off white solid 2a-o in 40-80% yield.

According to the analysis of related databases, 10602-03-6, the application of this compound in the production field has become more and more popular.

Reference:
Article; Dubbaka, Srinivas Reddy; Nizalapur, Shashidhar; Atthunuri, Azmi Reddy; Salla, Manohar; Mathew, Thresen; Tetrahedron; vol. 70; 12; (2014); p. 2118 – 2121;,
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Related Products of 3196-23-4, 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. 3196-23-4, name is Methyl 1-bromocyclohexanecarboxylate belongs to esters-buliding-blocks compound, it is a common compound, a new synthetic route is introduced below.

a. Benzhydryl 2-(2-tritylaminothiazol-4-yl)-(Z)-2-(1-methoxycarbonylcyclohexyloxyimino)acetate Benzhydryl 2-(2-tritylaminothiazol-4-yl)-(Z)-2-(hydroxyimino)acetate (2.0 g) was treated with methyl 1-bromocyclohexane carboxylate as described in Example 5a to give the title compound (1.7 g, 69%) as a white solid, m.p. 180-182 C. (ethyl acetate/hexane). [Found: C: 73.73; H: 5.60; N: 5.69. C45 H41 N3 O5 S requires C: 73.45; H: 5.62; N: 5.71%] numax (KBr) 3406, 2945, 1751, and 1528cm-1, deltaH (CDCl3) 1.36 (5H, m), 1.72 (3H, m), 2.00 (2H, m), 3.69 (3H, s), 6.46 (1H, s), 6.71 (1H, s), 7.15 (1H, s), 7.29 and 7.34 (25H, m).

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

Reference:
Patent; Beecham Group P.L.C.; US4816452; (1989); A;,
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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. 394-35-4, name is Methyl 2-fluorobenzoate belongs to esters-buliding-blocks compound, it is a common compound, a new synthetic route is introduced below. HPLC of Formula: C8H7FO2

General procedure: Substituted benzoic acid (1.0 mmol) was dissolved in thionylchloride and refluxed for 2 h, then the solvent was removed underreduced pressure to obtain the white solid. The white solid in methanol was added concentrated sulfuric acid (1 mL) and themixture was refluxed for 4 h, the solvent was removed to obtaincrude solid. The crude solid was extracted with ethyl acetate andwater. The solvents were evaporated to afford the pure product.Finally, the pure product was dissolved in ethanol, and the hydrazinehydrate was added. The mixture was refluxed for 9 h, and thesolvent was removed

The synthetic route of 394-35-4 has been constantly updated, and we look forward to future research findings.

Reference:
Article; Lian, Zhi-Min; Sun, Juan; Zhu, Hai-Liang; Journal of Molecular Structure; vol. 1117; (2016); p. 8 – 16;,
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Electric Literature of 619-42-1,Some common heterocyclic compound, 619-42-1, name is Methyl 4-bromobenzoate, molecular formula is C8H7BrO2, 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.

A stirred solution at room temperature of methyl 4-bromobenzoate (8.84 g, 41.11 [MMOL),] Pd [(PPH3)] 2Cl2 (840 mg, 1.20 [MMOL)] and Cul (455 mg, 2.39 [MMOL)] in anhydrous THF (200 ml) was saturated with nitrogen for 15 min. Then, the solution under nitrogen was cooled down at [0C,] and [TRIMETHYLSILYLACETYLENE] (7.2 [ML,] 50.91 [MMOL)] and triethylamine (22 [ML,] 157.8 [MMOL)] were added successively. The reaction mixture was allowed to warm up at room temperature. After 2 h, Pd [(PPH3)] 2Cl2 (100 mg) and Cul (80 mg) and trimethylsilylacetylene (0.5 ml) were added again, and the reaction mixture was stirred overnight. Then, the reaction mixture was diluted with AcOEt and successively washed with a saturated aqueous solution of NH4CI and brine, dried over [MGS04,] filtered and concentrated. The crude residue was then purified by flash chromatography on silica gel (AcOEt/hexane: [5/95010/90)] to afford the title compound XXXI (9.05 g, 38.95 [MMOL,] 94% yield) as a yellow sticky [SOLID. 1H] NMR: (400 MHz, CDCl3) 8 [(PPM)] : AB system [(8A] = 7.67, AB = 7.22, JAB = 8.5 Hz, 4H), 3.63 (s, 3H), 0.00 (s, 9H).

The synthetic route of 619-42-1 has been constantly updated, and we look forward to future research findings.

Reference:
Patent; METHYLGENE INC.; WO2004/35525; (2004); 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. 2216-94-6, name is Ethyl phenylpropiolate, This compound has unique chemical properties. The synthetic route is as follows., Application In Synthesis of Ethyl phenylpropiolate

General procedure: The reaction was performed in a 20-mL round-bottomed flask equipped with a Teflon-coated magnetic stirrer bar. A solution of Pd(TPP) (3.6 mg, 0.005 mumol) and DMAP (0.01 mmol, 1.2 mg) in pyridine (1 mL) was stirred at 25 C for 0.5 h under H2(1 atm, balloon). A soln of alkyne 1(0.5 mmol) in pyridine (4 mL) was added,and the mixture was stirred for the indicated time. H2O (20 mL) was added, and the aqueous phase was extracted with EtOAc (3 ¡Á 50 mL). The organic phases were combined, dried (Na2SO4), and concentrated in vacuo. The residue was purified by flash column chromatography [silica gel (20 g, 2 ¡Á 15 cm), hexane-EtOAc (40:1)] to give an alkene 2.

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 2216-94-6.

Reference:
Article; Nishibayashi, Ryo; Kurahashi, Takuya; Matsubara, Seijiro; Synlett; vol. 25; 9; (2014); p. 1287 – 1290;,
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Synthetic Route of 52727-57-8, A common heterocyclic compound, 52727-57-8, name is Methyl 2-amino-5-bromobenzoate, molecular formula is C8H8BrNO2, 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 54; 2-Amino-5-(2-11-[(4-aminomethyl-cyclohexanecarbonyl)-aminol-2-phenyl-ethyll- pyridin-4-yl)-benzoic acid methyl ester, tris-trifluroacetic acid salt; [00404] 54A. 2-Amino-5-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)-benzoic acid methyl ester: To a flame-dried, round-bottom flask equipped with a condenser was added 2-Amino-5-bromo-benzoic acid methyl ester (0.7 g, 3.0 mmol), Pd (dppf)Cl2No.CH2Cl2 complex (0.106 g, 0.130 mmol), KOAc (1.28 g, 13.0 mmol), and bis(neopentyl glycolato) diboron (1.08 g, 4.78 mmol). Next degassed DMSO (29 mL) was added and the reaction was stirred at 80 C. After 5 h, the reaction was cooled to rt, diluted with EtOAc (100 mL), washed with water, brine, dried over Na2S04, filtered and concentrated. Column chromatography on silica gel (gradient elution 0- 20% EtOAc/Hexane) gave 54A (0.858 g, 75%) as a white solid. ?H NMR (400 MHz, CDC13) 8: 1.01 (s, 6 H), 3.74 (s, 4 H), 3.86 (s, 3 H), 5.91 (bs, H), 6.63 (d, J = 8.3 Hz, 1 H), 7.66-7.68 (m, 1 H), 8.33 (s, 1 H). MS 196.1 (M – C5H8 + H)+.

The synthetic route of 52727-57-8 has been constantly updated, and we look forward to future research findings.

Reference:
Patent; BRISTOL-MYERS SQUIBB COMPANY; WO2005/123680; (2005); A1;,
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Reference of 457097-93-7, 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. 457097-93-7, name is Methyl 4-amino-3-(trifluoromethoxy)benzoate, This compound has unique chemical properties. The synthetic route is as follows.

[Step 1] 4-[(Ethylsulfonyl)amino]-3-(trifluoromethoxy)benzoic acid Using methyl 4-amino-3-(trifluoromethoxy)benzoate (300 mg) and ethanesulfonyl chloride (0.724 ml), synthesis was carried out in the same manner as in Step 1 of Example 8 to obtain the title compound (408 mg) as a solid. 1H-NMR (DMSO-D6) delta: 1.25 (3H, t, J=7.3 Hz), 3.27 (2H, q, J=7.3 Hz), 7.69 (1H, d, J=9.2 Hz), 7.80-7.84 (1H, m), 7.91 (1H, dd, J=8.5, 1.8 Hz), 10.27 (1H, s), 13.31 (1H, br s). MS (ESI/APCI) m/z: 312 [M-H]-

The chemical industry reduces the impact on the environment during synthesis Methyl 4-amino-3-(trifluoromethoxy)benzoate. I believe this compound will play a more active role in future production and life.

Reference:
Patent; Daiichi Sankyo Company, Limited; Ota, Masahiro; Inoue, Hidekazu; Kawai, Junya; Ohki, Hitoshi; Toki, Tadashi; (25 pag.)US2019/284198; (2019); A1;,
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Reference of 711-01-3, These common heterocyclic compound, 711-01-3, name is Methyl adamantane-1-carboxylate, 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.

Under a nitrogen atmosphere, 30.5 g (4.4 mol) of lithium metal (Li) was added to 2 L of tetrahydrofuran (THF) and stirred for 1 hour.Into this, a solution of 300 g (2.0 mol) of 2-adamantanone and 258.0 g (3.3 mol) of 2-chloropropane dissolved in 1000 mL of THF was added dropwise over 30 minutes while cooling so as to keep 20 ¡ã C. or less. .After completion of the dropwise addition, the mixture was stirred at 20 ¡ã C. for 90 minutes to obtain a THF solution of lithium 2-isopropyl-2-adamantyl alcoholate.To this THF solution, 362.0 g (2.4 mol) of methacrylic anhydride was added dropwise over 15 minutes while cooling so as to keep 20 ¡ã C. or less.After completion of the dropwise addition, the mixture was stirred at 20 ¡ã C. for 60 minutes to synthesize 2-isopropyl-2-adamantyl methacrylate.After completion of the reaction, 4 L of toluene was added, and further 2000 mL of 0.2 N aqueous NaOH solution was added, and the mixture was stirred at 20 ¡ã C. for 60 minutes.After removing the aqueous phase, washing was performed twice with 2 L of pure water.The solvent was distilled off from the organic phase to obtain 517.0 g of crude 2-isopropyl-2-adamantyl methacrylate (crude yield: 99percent, GC purity: 84.9percent).Subsequently, 0.7 g of p-methoxyphenol as a polymerization inhibitor is added to the obtained crude 2-isopropyl-2-adamantyl methacrylate,While distilling dry air from the capillary, carry out simple distillation at 0.1 kPa and 100 to 120 ¡ã C,369.0 g of distilled 2-isopropyl-2-adamantyl methacrylate (GC purity 88.2percent, referred to as ?distillate B?) was obtained.

The synthetic route of 711-01-3 has been constantly updated, and we look forward to future research findings.

Reference:
Patent; Osaka Organic Chemical Industry Ltd.; Kojima, Akio; Kono, Naoya; Uenoyama, Yoshitaka; (20 pag.)JP6478447; (2019); B2;,
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Related Products of 54535-22-7, These common heterocyclic compound, 54535-22-7, name is Diethyl 2-((phenylamino)methylene)malonate, 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.

A I L three-necked flask fitted with a mechanical stirrer was charged with 2- phenylaminomethylene-malonic acid diethyl ester (26.3 g, 0.100 mol), polyphosphoric acid (270 g) and phosphoryl chloride (750 g). The mixture was heated to 70 C and stirred for 4 h. The mixture was cooled to room temperature and filtered. The residue was treated with aqueous Na2C03 solution, filtered, washed with water and dried. 4- Hydroxyquinoline-3-carboxylic acid ethyl ester was obtained as a pale brown solid (15.2 g, 70%). The crude product was used in next step without further purification.

The synthetic route of 54535-22-7 has been constantly updated, and we look forward to future research findings.

Reference:
Patent; VERTEX PHARMACEUTICALS INCORPORATED; HASELTINE, Eric L.; MOSKOWITZ, Samuel; ROBERTSON, Sarah; WALTZ, David; (169 pag.)WO2019/18395; (2019); A1;,
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