Tag: M.W=200-300

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. 106896-49-5, name is Methyl 4-amino-3-bromobenzoate, This compound has unique chemical properties. The synthetic route is as follows., Formula: C8H8BrNO2

Example 40 theta-Cyano^’-methoxy-biphenyl-S-carboxylic acid methyl esterStep 1Step 1 : Methyl 4-amino-3-bromo benzoate (0.5 g, 2.17 mmol) was dissolved in dry dichloromethane (5 ml.) and the solution was cooled to -100C. A solution of BF3-Et2O (0.41 ml, 3.26 mmol) followed by te/f-butyl nitrite (0.32 mL, 2.72 mmol) was added dropwise to the mixture. The very dense solution was allowed to reach room temperature and was then diluted with hexanes (10 mL). The resulting solid was collected by filtration and washed again with hexanes. This was rapidly transferred in a flask containing a solution of NaCN (0.32 g, 6.52 mmol) and CuCN (0.233g, 2.61 mmol) in H2O/toluene (2:1 ; 3 mL) at 5C and stirred at this temperature for 30 min.. The mixture was then allowed to reach room temperature and finally it was heated at 600C for a further 25 min. The solution was then cooled to room temperature and then partitioned between water (15 mL) and EtOAc (15 mL). The organic phase was washed with brine, dried (Na2SO4) a nd solvent was rem oved in vacuo. Recrystallisation from hexanes/EtOAc gave 3-bromo-4-cyano-benzoic acid methylester as a grey solid (0.213g, 41 %). 1H NMR (400 MHz, c/6-Acetone): 8.35 (1 H, d), 8.17 (1 H, dd), 8.05 (1 H, d), 3.97 (3H, s).

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 106896-49-5.

Reference:
Patent; NOVARTIS AG; ASTEX THERAPEUTICS LIMITED; HOWARD, Steven; MORTENSON, Paul Neil; HISCOCK, Steven Douglas; WOOLFORD, Alison Jo-Anne; WOODHEAD, Andrew James; CHESSARI, Gianni; O’REILLY, Marc; CONGREVE, Miles Stuart; DAGOSTIN, Claudio; CHO, Young Shin; YANG, Fan; CHEN, Christine Hiu-Tung; BRAIN, Christopher Thomas; LAGU, Bharat; WANG, Yaping; KIM, Sunkyu; GRIALDES, John; LUZZIO, Michael Joseph; PEREZ, Lawrence Blas; WO2010/125402; (2010); A1;,
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These common heterocyclic compound, 17100-65-1, name is Methyl 2-bromo-4-methoxybenzoate, 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. SDS of cas: 17100-65-1

General procedure: Argon was bubbledthrough a mixture of boronic acid 13 [27] (1.43 g, 4.65 mmol), methyl 2-bromo-4-methoxybenzoate (14, 950mg, 3.88 mmol), and Cs2CO3 (5.06 g, 15.5 mmol) in DME/H2O (5:1, 10.5 mL of DME and 2.1 mL ofH2O) for 10 min. The Pd(PPh3)4 (448 mg, 0.39 mmol) catalyst was added to the mixture while argonbubbling was maintained through the mixture, and degassing was continued for an additional 5 min.The reaction mixture was microwaved with stirring at 110 C for 45 min in a Biotage apparatus [25].Then, the mixture was cooled to room temperature and filtered through a short celite pad. Volatileswere removed under reduced pressure, and Et2O was added. The ethereal solution was washed withwater and brine, dried over MgSO4, and concentrated under reduced pressure. Purification by flashcolumn chromatography on silica gel (10-30% EtOAc/hexane) gave 15 (1.4 g, 84% yield) as a yellow oil.

The synthetic route of Methyl 2-bromo-4-methoxybenzoate has been constantly updated, and we look forward to future research findings.

Reference:
Article; Liu, Yingpeng; Ho, Thanh C.; Baradwan, Mohammed; Lopez-Alberca, Maria Pascual; Iliopoulos-Tsoutsouvas, Christos; Nikas, Spyros P.; Makriyannis, Alexandros; Molecules; vol. 25; 3; (2020);,
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Related Products of 82702-31-6, The chemical industry reduces the impact on the environment during synthesis 82702-31-6, name is Methyl 3-bromo-4-fluorobenzoate, I believe this compound will play a more active role in future production and life.

b) Preparation of methyl 3-bromo-4-[4-(2-hydroxyethyl)piperazin-1-yl]benzoate Methyl 3-bromo-4-fluoro benzoate (1.39 g, 5.96 mmol) was dissolved in N,N-dimethylformamide (12 mL), added 1-piperazineethanol (3.88 g, 29.8 mmol) and potassium carbonate (2.47 g, 17.9 mmol), and the mixture was stirred under microwave irradiation at 100 C. for 0.5 hours. The reaction solution was added water at room temperature, extracted with ethyl acetate. The organic layer was washed with brine, dried over anhydrous sodium sulfate, and concentrated in vacuo. The obtained residue was purified by silica-gel column chromatography (hexane/acetone). The title compound (730 mg (yield 36%)) was obtained as a yellow oil. 1H-NMR (CDCl3) delta: 2.64 (2H, t, J=5.1 Hz), 2.71-2.75 (5H, m), 3.15-3.19 (4H, m), 3.67 (2H, t, J=5.1 Hz), 3.89 (3H, s), 7.03 (1H, d, J=8.6 Hz), 7.94 (1H, dd, J=1.6, 8.6 Hz), 8.22 (1H, d, J=1.6 Hz).

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 3-bromo-4-fluorobenzoate, other downstream synthetic routes, hurry up and to see.

Reference:
Patent; KOWA COMPANY, LTD.; US2010/280013; (2010); 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. 69038-74-0, name is tert-Butyl 3-Bromobenzoate, A new synthetic method of this compound is introduced below., category: esters-buliding-blocks

Reference example 22 tert-Butyl 3-allylbenzoate To a solution of isopropylmagnesium bromide (0.76M THF solution, 26ml, 20mmol) in THF (16ml) was dropped at 0C butyllithium (1.59M hexane solution, 25ml, 40mmol), and the mixture was stirred for 15 minutes, followed by stirring for 20 minutes at -78C. Thereto was dropped a solution of tert-butyl 3-bromobenzoate (2.0g, 8.0mmol) in THF (16ml) and the solution was stirred at -78C for 30minutes. Thereto were added aryl bromide (2.8ml, 32mmol) and copper (I)cyanide (1M THF solution, 2.4ml, 2.4mmol) and the mixture was stirred for additional 1 hour. The reaction was quenched with an aqueous saturated ammonium chloride solution and extracted with hexane (30 ml*3). The organic layer was concentrated and the residue was purified by column chromatography (SiO2 60 g, elute: Hex/AcOEt=300/1) to give the titled compound as a colorless liquid (1.0g, 4.6mmol). Yield: 58% 1H NMR(CDCl3)delta 7.84-7.82(2H, m), 7.36-7.26(2H, m), 6.00-5.92(1H, m), 5.12-5.06(2H, m), 3.43(2H, d, J = 6.7 Hz), 1.60(9H, s).

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; Dainippon Sumitomo Pharma Co., Ltd.; AstraZeneca AB; EP1728792; (2006); A1;,
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Application of 40876-98-0, 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. 40876-98-0, name is Sodium 1,4-diethoxy-1,4-dioxobut-2-en-2-olate, This compound has unique chemical properties. The synthetic route is as follows.

[0713] Step 2: Synthesis of ethyl 6-hydroxy-lH-pyrazolo[3,4-b]pyridine-4-carboxylate [0714] A stirred solution of lH-pyrazol-3 -amine (45 g, 542 mmol) in acetic acid (297 mL) and water (900 mL) was cooled to 0 C and diethyl oxaloacetate sodium salt (1 13.85 g:542.16 mmol) was added to it. Resulting solution was heated at 100 C for overnight. After completion of reaction, solid was filtered and dried to obtain the desired intermediate (25 g, 22%).

The chemical industry reduces the impact on the environment during synthesis Sodium 1,4-diethoxy-1,4-dioxobut-2-en-2-olate. I believe this compound will play a more active role in future production and life.

Reference:
Patent; EPIZYME, INC.; KUNTZ, Kevin, Wayne; OLHAVA, Edward, James; CHESWORTH, Richard; DUNCAN, Kenneth, William; WO2012/118812; (2012); A2;,
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Adding a certain compound to certain chemical reactions, such as: 88709-17-5, name is Ethyl 2-ethoxy-4-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 88709-17-5, HPLC of Formula: C12H16O3

To the suspension of 700 ml of cyclo hexane, 86 g (1.0 mol) of N-bromo succinimide and 3 g (0.03 mol) of AIBN was added 100 g (1.0 ml) of Ethyl-2-ethoxy-4-methyl benzoate. Heated the resulted mass to reflux and stirred for 3-5 hr. Cooled to 50-60 C. and charged 200 ml of water, then stirred for 10-15 min. Separated the aqueous phase and organic phase. The organic phase was washed with 200 ml of 5% hydrose followed by water (200 ml) at 50-60 C. Total organic phase was distilled completely under vacuum at below 60 C. Cooled to 25-35 C. and the title compound was isolated from residue with 100 ml n-Heptane at 0-5 C. The obtained compound was recrystallised from 400 ml of n-Heptane. Dried the compound under reduced pressure at 45-50 C. The yield of the recrystallised compound is 59.2 g (43%). [0038] The obtained product was characterised by analytical techniques like IR, Mass and 1H-NMR

At the same time, in my other blogs, there are other synthetic methods of this type of compound, Ethyl 2-ethoxy-4-methylbenzoate, and friends who are interested can also refer to it.

Reference:
Patent; DR. REDDY’S LABORATORIES LIMITED; DR. REDDY’S LABORATORIES, INC; US2004/249188; (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. 17100-63-9, name is Methyl 4-bromo-3-methoxybenzoate, This compound has unique chemical properties. The synthetic route is as follows., Formula: C9H9BrO3

methyl 3-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate (0285) To a solution of methyl 4-bromo-3-methoxybenzoate (7.3 g, 29.79 mmol) in dioxane (150 mL) was added 4,4,5,5-tetramethyl-2-(tetramethyl-1,3,2-dioxaborolan-2-yl)-1,3,2-dioxaborolane (8.3 g, 32.69 mmol), Pd(dppf)Cl2.CH2Cl2 (2.4 g, 2.94 mmol) and potassium acetate (8.76 g, 89.26 mmol) at room temperature. The reaction mixture was stirred for 16 h at 80 C., cooled to room temperature, and treated with water (100 mL). The resulting solution was extracted with ethyl acetate (250 mL×3). The organic phases were combined, washed with brine and dried over sodium sulfate. The solvent was removed under reduced pressure and the residue was purified by flash chromatography eluting with ethyl acetate in hexane (0% to 10% gradient) to yield methyl 3-methoxy-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)benzoate as yellow oil (6.0 g, 69%). MS: m/z=293.0 [M+H]+.

According to the analysis of related databases, 17100-63-9, the application of this compound in the production field has become more and more popular.

Reference:
Patent; Merck Patent GmbH; SHERER, Brian A.; KARRA, Srinivasa; XIAO, Yufang; (407 pag.)US2016/376283; (2016); A1;,
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Adding a certain compound to certain chemical reactions, such as: 213598-10-8, name is Methyl 3-bromo-4-isopropoxybenzoate, 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 213598-10-8, Recommanded Product: 213598-10-8

Step C: Methyl 3-cyano-4-isopropyloxybenzoate; A mixture of 1.32 g (4.83 mmol) of methyl 3-bromo-4-isopropyloxybenzoate (from Step B), 341 mg (2.90 mmol) of zinc cyanide, 67 mg (0.12 mmol) of 1, 1′- bis (diphenylphosphino) ferrocene, 44 mg (0.05 mmol) of tris (dibenzylideneacetone) dipalladium (0)-chloroform complex and 50 L ofH20 in 5.0 mL of DMF was stirred at 120 C for 48 h. The mixture was cooled, then partitioned between EtOAc and sat’d NaCl. The aqueous layer was separated and extracted with 3 x EtOAc. The organic layers were combined, dried over MgS04 and concentrated. Chomatography on a Biotage 40M cartridge using 9: 1 v/v hexanes/EtOAc gave 802 mg of the title compound : 1H NMR (500 MHz, CDC13) 8 1.44 (d, J = 6.2, 6H), 3.91 (s, 3H), 4. 71-4. 79 (m, 1H), 6.99 (d, J = 8.9, 1H), 8.18 (dd, J = 2.2, 8.8, 1H), 8.24 (d, J=2. 1, 1H).

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 3-bromo-4-isopropoxybenzoate, other downstream synthetic routes, hurry up and to see.

Reference:
Patent; MERCK & CO., INC.; WO2005/58848; (2005); 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. 35120-18-4, name is Ethyl 1-bromocyclobutanecarboxylate, This compound has unique chemical properties. The synthetic route is as follows., Safety of Ethyl 1-bromocyclobutanecarboxylate

Cyclobut-1-enecarboxylic acid2,3 Cyclobut-1-enecarboxylic acid was prepared according to the procedure for preparation of 3,3-dimethylcylobutene carboxylic acid as described by Campbell et al. with minor modifications. KOH (6.00 g, 107 mmol) and toluene (90 ml) were mixed and then heated to reflux until the KOH dissolved. Ethyl 1-bromocyclobutanecarboxylate (4.90 g, 23.7 mmol) was added dropwise without heating. The reaction mixture was heated at reflux for 1 h, then cooled to RT. Cold water (60 ml) was added, the aqueous layer was washed with pentane (2*40 ml) and the pH was adjusted to 2.5 with 30% aq H2SO4. The product was then extracted from the aqueous layer with Et2O (4*40 ml) and dried over anhydrous Na2SO4. The Et2O was evaporated to give a yellow oil. The oil was dissolved in pentane (50 ml) and the upper layer was separated from the lower layer. The upper layer was cooled in an acetone-dry ice bath and stirred for 20 min. The resulting precipitate was filtered and dried under vacuum (1.14 g, 49% yield). The dried solid was stored at -20 C. to prevent decomposition. 1H-NMR (400 MHz, CDCl3) delta 10.23 (bs, 1H), 6.94 (t, J=1.2 Hz, 1H), 2.76 (t, J=3.2 Hz, 2H), 2.51 (td, J=3.2 Hz, 1.2 Hz, 2H); 13C-NMR (100 MHz, CDCl3) delta 167.5, 150.1, 138.4, 29.1, 27.5.

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 35120-18-4.

Reference:
Patent; The Research Foundation of State University of New York; US2011/212046; (2011); 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. 26759-46-6, name is Methyl 2-amino-4,5-dimethoxybenzoate, A new synthetic method of this compound is introduced below., category: esters-buliding-blocks

To a solution of 2-amino-4,5-dimethoxy-benzoic acid methyl ester 1 (422 mg, 2 mmol) and 3- methylene-cyclobutanecarbonitrile (558 mg, 6 mmol) in 1,4-dioxane (3 mL) was added 4N HC1 in 1,4- dioxane (8 mL). The mixture was stirred at 100 °C overnight. The resulting mixture was cooled to room temperature and poured into chilly NaHC03 solution (20 mL) to give a precipitate. The solid was collected by filtration, washed with water (30 mL) and dried to give a mixture of compound (156) and (157) (440 mg, yield: 72percent). MS: m/z 307.1 (M-H+).

The synthetic route of 26759-46-6 has been constantly updated, and we look forward to future research findings.

Reference:
Patent; SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE; DUKE UNIVERSITY; PINKERTON, Anthony; MALONEY, Patrick; HERSHBERGER, Paul; PEDDIBHOTLA, Satyamaheshwar; HEDRICK, Michael; BARAK, Lawrence; CARON, Marc; WO2014/100501; (2014); A1;,
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