Tag: M.W=100-200

These common heterocyclic compound, 50594-78-0, name is 5-Fluoro-2-nitrobenzonitrile, 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. Safety of 5-Fluoro-2-nitrobenzonitrile

The 4-chloro-6-(1,2,4-triazol-1-yl)quinazoline used as a starting material was obtained as follows: A mixture of 5-fluoro-2-nitrobenzonitrile (3 g), 1,2,4-triazole (4.92 g), triethylamine (9.9 ml) and DMSO (50 ml) was stirred and heated to 85 C. for 16 hours. The mixture was cooled to ambient temperature and water was added. The precipitate was isolated and dried to give 2-nitro-5-(1,2,4-triazol-1-yl)benzonitrile (1.9 g) which was used without further purification.

The synthetic route of 5-Fluoro-2-nitrobenzonitrile has been constantly updated, and we look forward to future research findings.

Reference:
Patent; Zeneca Limited; US5955464; (1999); A;,
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Related Products of 13388-75-5, 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. 13388-75-5, name is 2-(3,5-Dimethoxyphenyl)acetonitrile, This compound has unique chemical properties. The synthetic route is as follows.

General procedure: A 50 mL round-bottomed flask was charged with 3 (0.177 g, 1 mmol), aromatic aldehyde or substituted aromatic aldehyde (1 mmol) and 10 mL methanol with stirring, and the mixture was heated to 60 C. After 30 min, sodium methoxide (0.027 g, 0.5 mmol) was added to the mixture and keep the temperature for 4-6 h. After completion of the reaction as indicated by TLC, the reaction mixture was cooled to RT, and the precipitate was separated by filter and recrystallized from methanol to give 4a-4z and 5a-5d.

The chemical industry reduces the impact on the environment during synthesis 2-(3,5-Dimethoxyphenyl)acetonitrile. I believe this compound will play a more active role in future production and life.

Reference:
Article; Ma, Jun; Li, Jiajun; Tian, Yu-Shun; Bioorganic and Medicinal Chemistry Letters; vol. 27; 1; (2017); p. 81 – 85;,
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Electric Literature of 403-54-3, 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. 403-54-3, name is 3-Fluorobenzonitrile, This compound has unique chemical properties. The synthetic route is as follows.

General procedure: A mixture of nitrile (5 mmol), tert-butyl benzoate (5.5 mmol) and Zn(ClO4)2·6H2O (2 mol%) was placed in around bottom flask. Then, the reaction mixture was heated at 50 C for the given time. After completion of the reaction monitored by thin layer chromatography (TLC), the reaction mixture was quenched with 5-ml water. Then the reaction system was added 10 ml aqueous NaOH solution (1 mol/L) and continued to be stirred 5 min and extracted with ethyl acetate (3 × 10 ml). The organic layers were collected, combined, washed with water (3 × 10 ml), driedover anhydrous Na2SO4, and concentrated under vacuum.

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

Reference:
Article; Feng, Cheng-Liang; Yan, Bin; Zhang, Min; Chen, Jun-Qing; Ji, Min; Chemical Papers; vol. 73; 2; (2019); p. 535 – 542;,
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Adding a certain compound to certain chemical reactions, such as: 57381-51-8, name is 4-Chloro-2-fluorobenzonitrile, belongs to nitriles-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 57381-51-8, category: nitriles-buliding-blocks

General procedure: Two runs were set side by side. A Schlenck tube was loadedwith [RuCl2(p-cymene)]2 (7.7 mg, 0.0125 mmol, 2.5 mol%), L3 (9.8 mg, 0.025 mmol, 5 mol%),K2CO3 (173 mg, 1.25 mmol), The tube was backfilled with Ar (3 ×). Under light backflow of Ar, NMP (2.5 mL) was added, followed by the required substrate (1c-1e) (0.6 mmol), and p-chloroanisole (2a;62 L, 71 mg, 0.5 mmol). The tube was sealed and the reaction mixture was stirred at 140 C for 24hours. After cooling to room temperature, the reaction mixtures from both tubes were combined in H2O(40 mL) and EtOAc (20 mL). The organic phase was separated and washed with H2O (3 × 30 mL),dried (MgSO4), filtered, and concentrated under reduced pressure. The monoarylated products (major)were isolated after flash chromatography.

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

Reference:
Article; Li, You-Gui; Wang, Zhen-Yu; Zou, Ya-Ling; So, Chau-Ming; Kwong, Fuk-Yee; Qin, Hua-Li; Kantchev, Eric Assen B.; Synlett; vol. 28; 4; (2017); p. 499 – 503;,
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Adding a certain compound to certain chemical reactions, such as: 1897-52-5, name is 2,6-Difluorobenzonitrile, belongs to nitriles-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 1897-52-5, Formula: C7H3F2N

General procedure: To an oven dried round bottom flask charged with a mixture of 2-fluorobenzonitrile (1a, 1 mmol) and hydrazine (2a, 1mmol) in ethanol (3 ml), stirred the reaction mixture at 80 C, for 30 min. To the reaction mixture isatin (3a, 1 mmol), 5,5-dimethyl-1,3-cyclohexanedione (4a, 1 mmol) and p-TSA (40 mol %) was added and the reaction mixture was further stirred at 80 C for 4 h. The progress of the reaction was monitored by TLC. After completion of the reaction, solid products was filtered under vacuum, air dried, to obtain the analytically pure products. The compounds 5a-5r were also synthesized by adopting this procedure.

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, 2,6-Difluorobenzonitrile, other downstream synthetic routes, hurry up and to see.

Reference:
Article; Balwe, Sandip Gangadhar; Lim, Kwon Taek; Cho, Byung Gwon; Jeong, Yeon Tae; Synthetic Communications; vol. 49; 4; (2019); p. 602 – 610;,
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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. 75279-53-7, name is 4-Chloro-2-fluorobenzeneacetonitrile, A new synthetic method of this compound is introduced below., SDS of cas: 75279-53-7

Intermediate 36: tert-Butyl 4-((4-chloro-2-fluorophenyl)(cyano)methyl)piperidine-1-carboxylate A solution of 2-(4-chloro-2-fluorophenyl)acetonitrile (0.353 g, 2.082 mmol) in DMF (5 mL) was cooled to 0-5 C., to this was added sodium hydride (0.050 g, 2.082 mmol) and tert-butyl 4-bromopiperidine-1-carboxylate (0.5 g, 1.893 mmol). The reaction was stirred at room temperature for 3 hours. The mixture was quenched with ice/water and partitioned between ethyl acetate and water. The phases were separated and the aqueous extracted with ethyl acetate. The combined organics were washed with water, dried (Na2SO4) and concentrated in vacuo. The crude product was purified by column chromatography on silica, eluted with 0-50% ethyl acetate/petroleum ether to afford ten-butyl 4-((4-chloro-2-fluorophenyl)(cyano)methyl)piperidine-1-carboxylate (0.5 g, 75%).

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; Carroll, Colm; Goldby, Anne; Teall, Martin; US2013/324576; (2013); A1;,
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Reference of 16532-79-9, 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. 16532-79-9, name is 4-Bromophenylacetonitrile belongs to nitriles-buliding-blocks compound, it is a common compound, a new synthetic route is introduced below.

Step 2: Preparation of l-(4-bromophenyl)cyclopropanecarbonitrile; To a room temperature solution of 4-bromophenylacetonitrile ( 18.0 g) in a solution of 22 mL of sodium hydroxide (50% in water WAV) were added l-bromo-2-chloroethane and (12.0 mL) and benzyltriethylammonium chloride (627 mg). The mixture was heated at 600C overnight. The reaction mixture was cooled to room temperature and diethyl ether was added (300 mL) and partitioned. The ether layer was washed with water (100 mL), hydrogen chloride (100 mL, 10% HCl in water), brine and dried with magnesium sulfate. Upon removal of the solvent in vacuo, the residue was purified by swish using diethyl ether and hexanes to yield the title compound.1H NMR (CD3COCD3) delta 7.60 (2 H, d), 7.35 (2 H, d), 1.74-1.80 (2 H, m), 1.52-1.57 (2 H, m).

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-Bromophenylacetonitrile, other downstream synthetic routes, hurry up and to see.

Reference:
Patent; MERCK FROSST CANADA LTD.; WO2006/133559; (2006); A1;,
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Related Products of 1080-74-6, A common heterocyclic compound, 1080-74-6, name is 2-(3-Oxo-2,3-dihydro-1H-inden-1-ylidene)malononitrile, molecular formula is C12H6N2O, 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.

General procedure: Compound III (150 mg, 0.16 mmol) and malononitrile(43 mg, 0.65 mmol) were dissolved in CHCl3 (30 mL), then 3 drops ofpiperidine were added. The mixed solution was degassed for 10 min bybubbling nitrogen. The reaction solution was heated at 65 C for 10 h.After completing, the solution was cooled to room temperature. Thesolvent was removed, and the solid crude product was obtained bymethanol precipitation. The crude product was purified by silica gelcolumn chromatography by using CHCl3 as the eluent to obtain a darkredsolid (122 mg, 74%).

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:
Article; Zhang, Tong; Yu, Tianzhi; Zhao, Yuling; Wei, Chengjin; Ma, Hailin; Li, Yanmei; Zhang, Hui; Dyes and Pigments; vol. 177; (2020);,
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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. 194853-86-6, name is 4-Fluoro-2-(trifluoromethyl)benzonitrile belongs to nitriles-buliding-blocks compound, it is a common compound, a new synthetic route is introduced below. category: nitriles-buliding-blocks

. 4-({[2-(methyloxy)phenyI]methyl}amino)-2-(trifluoromethyl)benzonitriIeTo a solution of 4-flouro-2-(trifluouromethyl)benzonitrile (reagent A) (500 mg, 2.6 mmol) in anhydrous DMF (0.5 M) was added 2-methoxybenzylamine (reagent B) (0.35 mL, 2.6 mmol) and oven-dried potassium carbonate (365 mg, 2.6 mmol). The reaction mixture stirred at 85 0C for 18 hours. After cooling to room temperature, the reaction mixture was diluted with water. The organics were extracted into ethyl ether and dried over sodium sulfate. The Filtrate was concentrated, and remaining DMF was removed under reduced pressure to yield a beige solid (415 mg, 51% crude yield): MS (ESI) 306.3 (MH)+.

The synthetic route of 194853-86-6 has been constantly updated, and we look forward to future research findings.

Reference:
Patent; SMITHKLINE BEECHAM CORPORATION; WO2006/113552; (2006); A2;,
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Electric Literature of 31643-49-9, A common heterocyclic compound, 31643-49-9, name is 4-Nitrophthalonitrile, molecular formula is C8H3N3O2, 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 500 mL three-neck rounde-bottom flask was added resorcinol (16.52 g, 0.15 mol), 4-nitrophthalonitrile (51.94 g, 0.30 mol) and 180 mL DMSO. During the course of the reaction, the K2CO3 (62.19 g, 0.45 mol) was added in three portions at an interval of 20 min. Then the resulting mixture was heated at 40 C for 12 h under nitrogen. After cooling, the product mixture was poured into water. The light yellow filtrate was collected by suction filtration and washed with large amount of water until the filtrate was neutral. The crude product (42.0 g) was purified by rinsing with CH2Cl2 in Buchner funnel and suction flask, and the filtrate was then dried by evaporation under a vacuum at 80 C for 5 h to remove CH2Cl2. The yellow-white powder was obtained in 68.7 wt% yield (28.9 g), m. p. peak at 183 C (sharp) (DSC) at a heat rate of 10 C/min. FTIR (KBr), 2232 (C?N), 1284 (Ar-O-Ar), 1248 (Ar-O-Ar). 1H NMR (400 MHz, DMSO-d6): 8.14-8.11 (d, 2H; Ar H), 7.92 (s, 2H; Ar H), 7.63-7.53 (m, 3H; Ar H), 7.15-7.12 (m, 3H; Ar H).

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:
Article; Yuan, Ping; Ji, Suchun; Hu, Jianghuai; Hu, Xueping; Zeng, Ke; Yang, Gang; Polymer; vol. 102; (2016); p. 266 – 280;,
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