Category: nitriles-buliding-blocks

Related Products of 1897-52-5, 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. 1897-52-5, name is 2,6-Difluorobenzonitrile belongs to nitriles-buliding-blocks compound, it is a common compound, a new synthetic route is introduced below.

Step 1: Preparation of 2,6-difluorobenzenecarboximidamide: To a solution of 2,6-difluorobenzonitrile (20 g) in diethyl ether (200 mL) was added lithium bis(trimethylsilyl)amide (240 mL, 1M in THF) at 0 C. The reaction mixture was stirred overnight at room temperature. After that, methyl tert-butyl ether (150 mL) was added and the reaction was stirred for 10 min. The reaction mixture was diluted with water (50 mL) and extracted with ethyl acetate (2×50 mL). The aqueous layer was basified (pH: 12-14) and extracted with ethyl acetate (2×50 mL). The combined organic layer was dried over sodium sulphate and concentrated under reduced pressure to afford the title compound (16 g) as a white solid. ‘H-NMR (400.0 MHz, de-DMSO): delta = 7.46-7.38 (m, 1H), 7.13-7.08 (m, 2H), 6.51 (s large, 3H).

The synthetic route of 2,6-Difluorobenzonitrile has been constantly updated, and we look forward to future research findings.

Reference:
Patent; BAYER CROPSCIENCE AKTIENGESELLSCHAFT; SCHWARZ, Hans-Georg; DECOR, Anne; GREUL, Joerg; TRAUTWEIN, Axel; HEILMANN, Eike Kevin; FISCHER, Reiner; LOeSEL, Peter; MALSAM, Olga; PORTZ, Daniela; ILG, Kerstin; SOMMER, Herbert; EILMUS, Sascha; SCHARWEY, Melanie; LISHCHYNSKYI, Anton; GEIBEL, Sven; GOeRGENS, Ulrich; HERBERT, Simon; TURBERG, Andreas; (124 pag.)WO2017/5717; (2017); A1;,
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Electric Literature of 796600-15-2, 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. 796600-15-2, name is 2-Chloro-4-fluoro-3-methylbenzonitrile, This compound has unique chemical properties. The synthetic route is as follows.

Heat a slurry of 2-chloro-4-fluoro-3-methyl-benzonitrile (0.4 g, 2.36 mmol) and L-proline (2.11 g, 18.8 mmol) in N-methylmorpholine (1.6 mL) at 200 0C in a microwave for 30 min. Partition the reaction between 2N aqueous hydrochloric acid and ethyl acetate. Separate and extract the organic portion with 2N aqueous sodium hydroxide. Acidify the aqueous extract to pH 1 by adding concentrated EPO hydrochloric acid and back extract into ethyl acetate. Extract the combined organic portions with brine, dry over magnesium sulphate, filter, and concentrate under reduced pressure to give the title compound. (0.395 g, 63%) mass spectrum (m/e): 263(M-I); 1H NMR (300 MHz, CDCl3): delta 8.66(bs,lH0, 7.31(d, IH), 6.75(d, IH), 4.38(t,lH), 3.67(m, IH), 3.10(m,lH), 2.43(m,lH), 2.29(s,3H), 2.20-1.90(m.3H).

The chemical industry reduces the impact on the environment during synthesis 2-Chloro-4-fluoro-3-methylbenzonitrile. I believe this compound will play a more active role in future production and life.

Reference:
Patent; ELI LILLY AND COMPANY; WO2006/124447; (2006); A2;,
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Synthetic Route of 621-50-1, The chemical industry reduces the impact on the environment during synthesis 621-50-1, name is 2-(3-Nitrophenyl)acetonitrile, I believe this compound will play a more active role in future production and life.

To an ice-cold slurry of 50% sodium hydride (2.17g, 90.4mmol) in anhydrous THF (15ml), was slowly added a solution of (3-nitro-phenyl)-acetonitrile (2.2g, 13.58mmol) in anhydrous THF (5ml). After 30 min, methyl iodide (6.67ml, 107mmol) was slowly added. The reaction mixture was allowed to warm to room temperature and stirred overnight. It was then quenched with ice- water. The compound was then extracted with ethyl acetate, the organic layer separated and washed with water, dried over anhydrous sodium sulphate, filtered and concentrated to oil. Column chromatography over silica gel by eluting with ethyl acetate/pet ether (5:95) gave 2-methyl-2-(3-nitrophenyl)- propionitrile (1. Ig, 43%) as a solid.

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, 2-(3-Nitrophenyl)acetonitrile, other downstream synthetic routes, hurry up and to see.

Reference:
Patent; F2G LTD; WO2006/123145; (2006); A1;,
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52133-67-2, name is Ethyl 2-cyano-4,4-diethoxybutyrate, belongs to nitriles-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. Recommanded Product: Ethyl 2-cyano-4,4-diethoxybutyrate

A solution of 55 in 50% TFA/DCM (10 niL) was stirred at room temperature for 17 h. The solution was concentrated to afford the title compound, which was used in the next step without purification.57 2-(4-(Morpholinomethyl)phenylamino)-7H-pyrrolo[2,3-rf]pyrimidin-4-ol (57)[0292] To a microwave reaction tube was charged with 56 (10.0 mmol), 2-cyano-4,4- diethoxy-butyric acid ethyl ester (2.3 g, 10.0 mmol) and NaOMe (25% by wt in MeOH; 15 mL) in EtOH (5 mL). The reaction tube was sealed and the solution irradiated with microwave at 160 0C for 30 min. After cooling to room temperature, the mixture was concentrated. The residue was taken up in water (10 mL) and the pH adjusted to 1 with 6M of HCl. The resulting solution was stirred at room temperature for 25 min and then the pH adjusted to 9 with concentrated 10% NaOH. The resulting solid was filtered, washed with water and dried under high vacuum to afford the title compound as a brown solid. The material was used in the next step without purification.

The synthetic route of 52133-67-2 has been constantly updated, and we look forward to future research findings.

Reference:
Patent; TARGEGEN INC.; WO2009/49028; (2009); 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. 5332-06-9, name is 4-Bromobutanenitrile, A new synthetic method of this compound is introduced below., Product Details of 5332-06-9

Dissolve ethyl imidazole-2-carboxylate (200 mg, 1.43 mmol) in 5 ml of N,N-dimethylformamide, add cesium carbonate (931 mg, 2.85 mmol) for 0.5 h, and add 4-bromobutyronitrile (317 mg , 2.14mmol), warmed to 80 for 2h, the reaction was completed by TLC, stopped the reaction, cooled to room temperature, diluted with water, extracted with ethyl acetate (3¡Á20ml), combined organic layers, washed with saturated brine, anhydrous sodium sulfate Dry, filter and concentrate to obtain crude product. Purified by column chromatography (PE:EA=3:1) to give a pale yellow liquid, ie compound 1-(3-cyanopropyl)-1H-imidazole-2-carboxylic acid ethyl ester 19b (260mg, yield 88.1%) .

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; Sichuan University; Li Guobo; Wang Zhenling; (40 pag.)CN111187218; (2020); A;,
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68119-31-3, name is 2-(2,2-Difluorobenzo[d][1,3]dioxol-5-yl)acetonitrile, belongs to nitriles-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. HPLC of Formula: C9H5F2NO2

Sodium hydroxide (50% aqueous solution, 10 mL) was slowly added to a mixture of crude (2,2-difluoro-benzo[l,3]dioxol-5-yl)-acetonitrile, benzyltriethylammonium chloride (3.00 g, 15.3 mmol), and l-bromo-2-chloroethane (4.9 g, 38 mmol) at 70 0C.[00171] The mixture was stirred overnight at 70 0C before the reaction mixture was diluted with water (30 mL) and extracted with ethyl acetate. The combined organic layers were dried over sodium sulfate and evaporated to dryness to give crude l-(2,2-difluoro-benzo[l,3]dioxol-5- yl)-cyclopropanecarbonitrile, which was used directly in the next step.

The synthetic route of 68119-31-3 has been constantly updated, and we look forward to future research findings.

Reference:
Patent; VERTEX PHARMACEUTICALS INCORPORATED; RUAH, Sara, Hadida, S.; GROOTENHUIS, Peter, D., J.; VAN GOOR, Fredrick; MILLER, Mark, T.; MCCARTNEY, Jason; ZHOU, Jinglan; BEAR, Brian; NUMA, Mehdi, Michel, Djamel; WO2010/53471; (2010); 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. 610-66-2, name is 2-(2-Nitrophenyl)acetonitrile, This compound has unique chemical properties. The synthetic route is as follows., Application In Synthesis of 2-(2-Nitrophenyl)acetonitrile

General procedure: To a solution of the correspongding catalyst 4k (5 mol%), K2CO3 (2 equiv) and 2-(2-nitrophenyl)acetonitrile (0.10 mmol) in CH2Cl2 (1.0 mL), and then was cooled to -20 C before the imines (0.12 mmol) was introduced. When the reaction was finished (determined by TLC analysis), the crude mixture was warmed to room temperature and purified by flash column chromatography (silica gel: petroleum ether/AcOEt = 5:1) to afford the products

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 610-66-2.

Reference:
Article; Pan, Renming; Zhang, Jiaxing; Zheng, Changwu; Wang, Hongyu; Cao, Dongdong; Cao, Weiguo; Zhao, Gang; Tetrahedron; vol. 73; 17; (2017); p. 2349 – 2358;,
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Reference of 1255870-63-3, A common heterocyclic compound, 1255870-63-3, name is 4-Bromo-2-ethoxybenzonitrile, molecular formula is C9H8BrNO, 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 suspension of 4-bromo-2-ethoxybenzonitrile (1.50 g, 6.5 mmol), hydroxylamine hydrochloride (913 mg, 13 mmol) and NaHCOs (1.365 g, 16.3 mmol) in water (1.32 mL) and EtOH (26.6 mL) is stirred in a sealed tube at 90C for 6h. Once at RT, the product precipitated from the RM upon addition of water. The solid is filtered off under high vacuum, washing with water and some EfeO. A first crop of pure title compound (947 mg) was thus obtained as white solid. The filtrate is extracted with EtOAc. The organic layer is then washed twice with brine, dried over MgS04, filtered and concentrated. The residue is purified by FC (hept/EtOAc 1 :1) to yield another crop of the pure title compound as a white solid (448 mg), merged with the first batch from precipitation. The title compound is obtained as a white solid (1.395 g, 83%). LC-MS B: tR = 0.53min, [M+H]+ = 259.12.

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; IDORSIA PHARMACEUTICALS LTD; BOSS, Christoph; CORMINBOEUF, Olivier; FRETZ, Heinz; LYOTHIER, Isabelle; POZZI, Davide; RICHARD-BILDSTEIN, Sylvia; SIENDT, Herve; SIFFERLEN, Thierry; (223 pag.)WO2018/210994; (2018); A1;,
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Related Products of 939-79-7, The chemical industry reduces the impact on the environment during synthesis 939-79-7, name is 4-Methyl-3-nitrobenzonitrile, I believe this compound will play a more active role in future production and life.

Furan-2,5-dicarboxaldehyde (197mg, 1.6mmol) and 4-cyano-2-nitrotoluene (12; 600mg, 3.7mmol) were dissolved in sulfolane (1mL) to which was added piperidine (200 muL, 2.0mmol). The mixture was heated to 150C in a sealed tube for 30min, producing a dark suspension. The reaction was cooled to room temperature, and MeOH (5mL) and Et2O (5mL) were added. The solids were triturated, filtered, rinsed with Et2O, and dried to yield 417mg (64%) of product as a brown powder. Material is too insoluble for 1H NMR evaluation.

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, 4-Methyl-3-nitrobenzonitrile, other downstream synthetic routes, hurry up and to see.

Reference:
Article; Williams, John D.; Nguyen, Son T.; Gu, Shen; Ding, Xiaoyuan; Butler, Michelle M.; Tashjian, Tommy F.; Opperman, Timothy J.; Panchal, Rekha G.; Bavari, Sina; Peet, Norton P.; Moir, Donald T.; Bowlin, Terry L.; Bioorganic and Medicinal Chemistry; vol. 21; 24; (2013); p. 7790 – 7806;,
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Related Products of 79463-77-7, A common heterocyclic compound, 79463-77-7, name is Diphenyl N-cyanocarbonimidate, molecular formula is C14H10N2O2, 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.

Intermediate 122 (100 mg, 0.27 mmol) was dissolved in isopropanol (5 mL) and DIPEA (52.7 mg, 0.41 mmol) and diphenyl N-cyanocarbonimidate [79463-77-7] (79.7 mg, 0.32 mmol) were added. The reaction mixture was stirred at r.t. for ~1 h. p-Toluidine [106-49-0] (31.9 mg, 0.30 mmol) was added and the reaction mixture was stirred at r.t for ~4 h. The reaction mixture was heated at 80 C for 30 minutes. The precipitate was filtered, washing with isopropanol and Et20 to afford the title compound (70 mg, 0.15 mmol, 54%). LCMS [M+H]+478.2, [M+Na]+ 500.2, RT 2.174 minutes, 100.0% purity (Method 1).

The synthetic route of 79463-77-7 has been constantly updated, and we look forward to future research findings.

Reference:
Patent; UCB BIOPHARMA SRL; CHOVATIA, Prafulkumar Tulshibhai; CONNELLY, Rickki Lee; FRANKLIN, Richard Jeremy; HASLETT, Gregory William; HENRY, Alistair James; MADDEN, James; NEUSS, Judi Charlotte; NORMAN, Timothy John; PHILPS, Oliver; PITT, William Ross; RAMPALAKOS, Konstantinos; SELBY, Matthew Duncan; SELVARATNAM, Suganthan; TRANI, Giancarlo; ZHU, Zhaoning; (768 pag.)WO2019/243550; (2019); A1;,
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