Month: May 2021

Adding a certain compound to certain chemical reactions, such as: 123-29-5, name is Ethyl nonanoate, 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 123-29-5, Recommanded Product: 123-29-5

EXAMPLE 4 STR11 1-Methoxy-7-(4-pentenyloxy)heptane Sodium hydride (665 mg, 17 mmol, washed three times with hexane) was treated with the title product of Example 3 (2.0 g, 14 mmol) in 90 mL of tetrahydrofuran at reflux for one hour. A solution of 5-bromopentene (2.0 g, 14 mmol) in 50 mL of tetrahydrofuran was added dropwise and refluxing continued for 20 hours. After cooling to room temperature, 50 mL of water was added, the layers separated and the aqueous phase was extracted with two portions of ethyl acetate. The combined organic extracts were washed with brine, dried over magnesium sulfate, filtered and concentrated. Chromatography of the crude residue on silica gel using 50–50 ethyl acetate-heptane as eluant gave the title compound (485 mg) as a yellow oil and the structure verified by NMR.

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; G. D. Searle & Co.; US5859052; (1999); A;; ; Patent; G. D. Searle & Co.; US5599947; (1997); 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. 20026-96-4, name is Ethyl 3-(4-chlorophenyl)propiolate belongs to esters-buliding-blocks compound, it is a common compound, a new synthetic route is introduced below. category: esters-buliding-blocks

b) 1-Benzyl-4-(4-chloro-phenyl)-2,5-dihydro-1H-pyrrole-3-carboxylic acid (IIa) At r.t., a solution of N-(methoxymethyl)-N-(phenylmethyl)-N-(trimethylsilyl)methyl amine (116.8 g, 0.49 mol) in CH2Cl2 (260 ml) was added dropwise over 90 min to a stirred solution of (4-chloro-phenyl)-propynoic acid ethyl ester (72.0 g, 0.34 mol) and trifluoroacetic acid (2.5 ml, 0.03 mol) in CH2Cl2 (350 ml). The reaction mixture was stirred at 25 C. overnight and afterwards evaporated to dryness. The residue was dissolved in dioxane (0.8 l); an aqueous solution of NaOH (91.0 ml, 1.02 mol, 3 eq.) was added, and the resulting emulsion was stirred at r.t. for 48 h. The low boiling organic solvent was removed under vacuum, water (0.9 l) was added, and the aqueous layer was separated and washed with TBME (1 l). The aqueous layer was then acidified to a pH value of 2.5 by addition of 25% HCl. The resulting suspension was stirred overnight; the white precipitate was filtered off, washed with water and ethanol and dried under high vacuum to yield 62.0 g (60%) of IIa as a white solid. ES-MS m/e: 312.4 (M-H+).

The synthetic route of 20026-96-4 has been constantly updated, and we look forward to future research findings.

Reference:
Patent; Hoffmann-Emery, Fabienne; Puentener, Kurt; Ratni, Hasane; US2010/152462; (2010); A1;,
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Related Products of 6942-39-8, A common heterocyclic compound, 6942-39-8, name is Methyl 2-bromo-5-fluorobenzoate, molecular formula is C8H6BrFO2, 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.

To a solution of methyl 2-bromo-5-fluorobenzoate (18.26 moles) in DMF (total vol. 9.2 L) was charged copper(I) cyanide (1.603 kg) in DMF (5 L) slurry and followed with a DMF flush (4 L). After being degassed, the reaction mixture was heated at 100 C. for 10-16 hours. The reaction mixture was monitored by HPLC (conversion was >98%). After being cooled to 50 C.-60 C., ethyl acetate (20 L) was added, and then 10% NH4OH-20% NH4Cl (22 L). The mixture was then transferred to a 100 L nalgene extractor. The 72 L round bottom flask was washed with 15 L of EtOAc and 15 L of water and transferred to the 100 L extractor. After phase cut, the aqueous layer was back-extracted with EtOAc (17 L) one time. The combined organic layers were washed with 10% NH4OH/20% NH4Cl:water (1:1, 3*10 L), 16% brine (8 L), concentrated, and solvent switched to MeOH (total vol. 22 L, KF=152.6 mug/mL). The resulting solution was used for next step. HPLC conditions: column: Zorbax, Rx C8 250*4.6 mm; temperature: 30 C.; detection at 210 nm; mobile phase: 0.1% aq H3PO4 (A)/MeCN (B); gradient: 90:10 (A)/(B) to 10:90 over 15 min, 10:90 hold for 5 min, 10:90 to 90:10 (A)/(B) over 10 seconds; flow rate: 1 mL/min; retention time for the desired monoester: 11.7 min. Evaporation of a sample to dryness gave a light yellow solid: 1H NMR (CDCl3) delta: 7.86-7.80 (m, 2H), 7.37 (td, J=8.5, 2.6 H, 1H), 4.02 (s, 3H); 13C NMR (100 MHz, CDCl3) delta: 164.3 (d, J=260 Hz), 163.3, 137.1 (d, J=10.0 Hz), 135.2 (d, J=10.0 HZ), 120.2 (d, J=30.0 Hz), 118.8 (d, J=20.0 Hz), 116.6, 109.0, 53.1.

The synthetic route of 6942-39-8 has been constantly updated, and we look forward to future research findings.

Reference:
Patent; Lee, Jaemoon; Zhong, Yong-Li; US2004/220273; (2004); A1;,
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Adding a certain compound to certain chemical reactions, such as: 23676-08-6, name is Methyl 4-ethoxybenzoate, 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 23676-08-6, COA of Formula: C10H12O3

General procedure: Hydrazine hydrate 64% (v/v) (30.0 mL, 0.33 mol) was heated up to 50-60 C. The methyl ester 3 (0.01 mol) was added and the mixture was heated at reflux for 10 min. The cooling was performed sequentially in water bath, followed by ice bath and dry ice-ethanol bath. The precipitate was filtered and washed with cold water.

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, Methyl 4-ethoxybenzoate, other downstream synthetic routes, hurry up and to see.

Reference:
Article; Ishii, Marina; Jorge, Salomao Doria; De Oliveira, Alex Alfredo; Palace-Berl, Fanny; Sonehara, Ieda Yuriko; Pasqualoto, Kerly Fernanda Mesquita; Tavares, Leoberto Costa; Bioorganic and Medicinal Chemistry; vol. 19; 21; (2011); p. 6292 – 6301;,
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Adding a certain compound to certain chemical reactions, such as: 7148-50-7, name is 5-Methyl-5-propyl-1,3-dioxan-2-one, 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 7148-50-7, Computed Properties of C8H14O3

Step 4; 2-(Hydroxymethyl)-2-methylpentyl isopropylcarbamate: At ambient temperature, several batches of propan-2-amine hydrochloric acid salt (171 mg, 1.80 mmol, 1.50 equiv.) was added to a solution of 5-methyl-5-propyl-1,3-dioxan-2-one (200 mg, 1.20 mmol, 1.00 equiv) in triethylamine (20 mL). The mixture was maintained at about 90 C. for about 2 hours. The mixture was then concentrated in vacuo and the resulting residue was diluted with water (50 mL). Following standard extractive workup with ethyl acetate, the crude residue was purified by silica gel column chromotagraphy (methanol/dichloromethane (1:50)) to afford the title product as a brown oil (220 mg, 1.01 mmol). 1H NMR (300 MHz, CDCl3) delta: 4.58 (s, 1H), 3.94 (s, 2H), 3.82 (m, 1H), 3.28 (dd, J=12.0, 11.7 Hz, 2H), 2.36 (br, 1H), 1.32 (m, 4H), 1.19 (d, J=6.3 Hz, 6H), 0.98 (t, J=6.3, 7.2 Hz, 3H), 0.87 (s, 3H).

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, 5-Methyl-5-propyl-1,3-dioxan-2-one, other downstream synthetic routes, hurry up and to see.

Reference:
Patent; AUSPEX PHARMACEUTICALS, INC.; US2010/76074; (2010); A1;,
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

Some common heterocyclic compound, 1462-12-0, name is Diethyl 2-ethylidenemalonate, molecular formula is C9H14O4, 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. Product Details of 1462-12-0

General procedure: To a mixture of alkene 1 (0.5 mmol), aldehyde 2 (2.5 mmol), and FeCl2 (1.6 mg, 0.0125 mmol), acetonitrile (3.0 mL) was added under nitrogen at room temperature. Then tert-butyl hydroperoxide 3 (TBHP, 2.0 mmol, 5-6 M in decane) was dropped into the mixture under nitrogen at room temperature. The resulting mixture was stirred under 85 oC for 1 h. The temperature of reaction was cooled to room temperature. The resulting reaction solution was directly filtered through a pad of silica by ethyl acetate. The solvent was evaporated in vacuo to give the crude products. NMR yields are determined by 1H NMR using dibromomethane as an internal standard. Solvent was evaporated and the residue was purified by flash column chromatography on silica gel with ethyl acetate/petroleum ether as eluent to afford the pure product 4.

These compound has a wide range of applications. It is believed that with the continuous development of the source of the synthetic route 1462-12-0, its application will become more common.

Reference:
Article; Liu, Kaisheng; Li, Yuanming; Zheng, Xiaojian; Liu, Weiping; Li, Zhiping; Tetrahedron; vol. 68; 50; (2012); p. 10333 – 10337;,
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

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 914943-91-2 as follows. SDS of cas: 914943-91-2

-Butyl 3-ethynyibenzoate (117) (1.603 g, 7.93 mmol), 4-iodo-2-(methylthio)-5- (trifiuoromethyl)pyrimidine (114) (1.647 g, 5.15 mmol), PdCI2(PPh3)2 (0.316 g, 0.45 mmoi), PPh3 (0.355 g, 1.35 mmol), Cu(i)i (0.232 g, 1.22 mmol) and trethyiamine (4.00 mL, 28.7 mmoi) were combined in D F (20 mL) and the resulting mixture heated at 120 C under microwave irradiation for 25 minutes. The mixture was then concentrated under reduced pressure and purified twice using silica gel column chromatography (10-20% EtOAc/petroleum benzine 40-60 C then 50-100% DCM/petroleum benzine 40-60 C) to give the title compound (118) (0.624 g, 31 %) as a yellow solid; 1H NMR (400 MHz, CDCI3) delta 8.73 (d, J = 0,8 Hz, H), 8.25 (m, H), 8.08 (m, 1 H), 7.78 (m, 1 H), 7.48 (m, 1 H), 2.63 (s, 3H), 1.61 (s, 9H).

According to the analysis of related databases, 914943-91-2, the application of this compound in the production field has become more and more popular.

Reference:
Patent; CANCER THERAPEUTICS CRC PTY LTD; DEVLIN, Mark Graeme; STREET, Ian Philip; TONG, Warwick Bonner; WO2014/27199; (2014); A1;,
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. 123-95-5, name is Butyl stearate belongs to esters-buliding-blocks compound, it is a common compound, a new synthetic route is introduced below. category: esters-buliding-blocks

An esterification reaction mixture (94 g), consisting of butanol (ca., 4.9% w/w), butyl stearate (95.1% w/w), residual stearic acid (trace), residual methanesulfonic acid catalyst (1383 ppm) and undesired butyl methanesulfonate (613 ppm) was treated with 45% aqueous KOH (229 mg, 1.84 mmol as compared to 1.74 mmol MSA originally charged to the reaction). The resulting mixture was heating at 50 C. for 40 minutes. Without wishing to be bound by any particular theory or explanation, it is believed that reaction of butyl stearate with KOH produced potassium stearate, which retains significant solubility in the butyl stearate medium. The formed potassium stearate then reacted with butyl methanesulfonate to produce potassium methanesulfonate and butyl stearate. After filtration of the by-product solid salts (0.6325 g), analysis of the mixture by gas chromatography revealed only 300 ppm unreacted butyl methanesulfonate, a 51% reduction. Repetition of the above KOH treatment at a higher temperature (175 C./60 min.) revealed complete reaction of the butyl methanesulfonate. Similarly, treatment with NaOH was found equally effective as treatment with KOH. Treatment with Ca(OH)2 proved ineffective, presumably due to formation of poorly soluble calcium salts. Treatment with acidic tin(II) or zirconium (IV) salts resulted in formation of additional butyl methanesulfonate.

The synthetic route of 123-95-5 has been constantly updated, and we look forward to future research findings.

Reference:
Patent; Smith, Gary; Cordova, Robert; Chen, Johnson C.H.; Chen, Mabel; US2006/30725; (2006); A1;,
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics

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 89901-03-1 as follows. SDS of cas: 89901-03-1

Example 97; (4′ -Bromo-biphenyl-4-yl) -methanol; A solution of 4′ -Bromo-biphenyl-4-carboxylic acid methyl ester, 7.8g (27.9′ mmol) in 15OmL of tetrahydrofuran was cooled to 0 0C via ice-water bath. Lithium aluminum hydride, l.lg (27.9 mmol) was added to the solution in one portion. The reaction mixture stirred at 0 0C for Ih. The mixture was slowly quenched with 1OmL of isopropyl alcohol, then with 1OmL of water. The aqueous mixture was extracted with 3x50mL portions of ethyl acetate. The organic layers were combined, washed with sat. aq. NaCl, and dried (MgSO4) . The solution was concentrated to afford the desired product in 7.01g (100%) as a white solid. The material was taken to the next step without further purification.

According to the analysis of related databases, 89901-03-1, the application of this compound in the production field has become more and more popular.

Reference:
Patent; THE INSTITUTES FOR PHARMACEUTICAL DISCOVERY, LLC; WO2006/55725; (2006); 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. 57486-69-8, name is Methyl 2-(2-bromophenyl)acetate, This compound has unique chemical properties. The synthetic route is as follows., Formula: C9H9BrO2

Degas a suspension of methyl 2-(2-bromophenyl)acetate (156.6 g, 684 Tnmoi), bis(inacoiato)diboron (194.9 g, 752 mmoi), and potassium acetate (135,6 g, 1.4 mol) in N-methylpyrroiidone (940 mL) with three vacuuni?nitrogen cycles, Add (1,1 bis(diphenyiphosphino)ferrocene)palladiurn(H) chloride (11,4 g, 13,7 nunol) and heat at 80C. After 15 hours add (1 , I -bis(diphenyiphosphino)ferrocene)palladiuni(II) chloride(11,4 g, 13.7 mmoi) and stir at 90 C for 24 hours, Cool to ambient tern perare and pour over a mixture of ice and water (3 L), and methyl tertiary butyl ether (1 L) was added, Stir mixture, filter through a pad of Celite and separate layers, Extract from aqueous with methyl tertiary hutyl ether (2×500 niL), Wash combined organics with water (2×500 mL), brine (500 mL), dry over sodium sulfate and concentrate. Purify the residue byflash chromatography, elating with hexane: ethyl acetate (9:1) to give the title compound as a white solid (160,6 g, 581.6 mrnol, 85%). MS (rn/z): 277(M+i),

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 57486-69-8.

Reference:
Patent; ELI LILLY AND COMPANY; BENHADJI, Karim A.; MASSARD, Christophe; SORIA, Jean-Charles; (43 pag.)WO2016/168014; (2016); A1;,
Ester – Wikipedia,
Ester – an overview | ScienceDirect Topics