Category: nitriles-buliding-blocks

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. 36282-26-5, name is 2-Bromo-4-fluorobenzonitrile, This compound has unique chemical properties. The synthetic route is as follows., Application In Synthesis of 2-Bromo-4-fluorobenzonitrile

To a mixture of 15 (0.100 g, 0.43 mmol) and NaH (15.5 mg, 0.65 mmol) in DMF (8 mL) was added 2-bromo-4-fluorobenzonitrile (86 mg, 0.43 mmol) and heated at 90 C for 5 h. The reaction mixture was concentrated under reduced pressure and the residue chromatographed (hexane/EtOAc, 10:1-10:2) to give 0.162 g (91%) of 16 as a white solid. 1H NMR (CDCl3) delta 7.97 (d, J = 2.1 Hz, 1H), 7.85 (d, J = 8.4 Hz, 1H), 7.63 (dd, J = 8.4, 2.1 Hz, 1H), 2.89 (s, 2H), 2.51 (s, 2H), 1.16 (s, 6H); MS (ESI): m/z 410.0/412.0 [M-H]-.

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 36282-26-5.

Reference:
Article; Taldone, Tony; Zatorska, Danuta; Patel, Pallav D.; Zong, Hongliang; Rodina, Anna; Ahn, James H.; Moulick, Kamalika; Guzman, Monica L.; Chiosis, Gabriela; Bioorganic and Medicinal Chemistry; vol. 19; 8; (2011); p. 2603 – 2614;,
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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. 14447-18-8, name is Benzyl cyanoacetate, A new synthetic method of this compound is introduced below., Product Details of 14447-18-8

The reactor is addedCyanoacetic acid benzyl ester 63 mL (0.5 mol)1-butyl-3- methyl imidazole trifluoroacetate126mL,N-octadecyl-3-aminoacrolein19 mL (0.1 mol) was homogeneously mixed,The oil bath was heated to a temperature of 90 C and incubated for 4 h to carry out the reaction,TLC detection (petroleum ether: dichloromethane 1: 2 development, sublimation iodine color) N-octadecyl-3-aminopropenal reaction completely, cooled to room temperature, organic solvent1,2-dichloroethane 60mL extraction 3 times, residual phase ion water washing vacuum drying and reuse,The organic phase was passed into the HCl gas and the reaction was followed by HPLC until the reaction was complete. Add concentrated ammonia to adjust the pH = 5-6, liquid separation, water use1,2-dichloroethane 20 mL x 3 times extraction,The organic layers were combined, washed with water and separated, and the solvent was distilled off under reduced pressure to give 1,2-dichloroethane2-chloronicotinic acid benzyl ester, pale yellow liquid 23.7g, the yield was 95.5%.

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; Shandong Normal University; Liu Yufa; Mao Feifei; Zhang Hongtao; Kan Baohong; Sun Lin; Chen Dongmei; Qian Xiaoping; (11 pag.)CN105001154; (2017); B;,
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These common heterocyclic compound, 654-70-6, name is 4-Cyano-3-trifluoromethylaniline, 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 4-Cyano-3-trifluoromethylaniline

4-cyano-3-trifluoromethyl-aniline is reacted with itaconic anhydride (66) to yield intermediate 67. Further epoxidation and opening of the epoxide ring with p-CN-phenol 50 yields compound XLVI as presented in Figure IG.

The synthetic route of 4-Cyano-3-trifluoromethylaniline has been constantly updated, and we look forward to future research findings.

Reference:
Patent; OSURF (OHIO STATE UNIVERSITY RESEARCH FOUNDATION); UNIVERSITY OF TENNESSEE RESEARCH FOUNDATION; WO2008/11072; (2008); A2;,
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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. 766-84-7, name is 3-Chlorobenzonitrile belongs to nitriles-buliding-blocks compound, it is a common compound, a new synthetic route is introduced below. Quality Control of 3-Chlorobenzonitrile

General procedure: A 5 mL reaction tube was charged with Phen-MCM-41-CuBr (36 mg, 0.025 mmol), 2-aminopyridine 1 (0.6 mmol), nitrile 2 (0.5 mmol), ZnI2 (16 mg, 0.05 mmol), and 1,2-dichlorobenzene (1.5 mL) under an air atmosphere. The reaction tube was sealed and placed in an oil bath at r.t. The reaction mixture was stirred at 130 C for 24 h. After cooling to r.t., the reaction mixture was diluted with EtOAc (10 mL) and filtered. The supported copper catalyst was washed with water (2 5 mL) and acetone (2 5 mL), and reused in the next run. The filtrate was concentrated in vacuo and the residue was purified by flash column chromatography on silica gel (hexane/EtOAc, 3:2) to provide the desired product 3.

The synthetic route of 766-84-7 has been constantly updated, and we look forward to future research findings.

Reference:
Article; Xia, Jianhui; Huang, Xue; Cai, Mingzhong; Synthesis; vol. 51; 9; (2019); p. 2014 – 2022;,
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Related Products of 1813-33-8, These common heterocyclic compound, 1813-33-8, name is 2-Chloro-4-(trifluoromethyl)benzonitrile, 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 commercially available 2-chloro-4-trifluoromethylbenzonitrile 13 (0.5 ml, 3.6 mmol) dimethylamine (4equiv., 0.95 ml) was added and the solution was heated in closed vessel at 80C overnight. The reaction was evaporated and the residue was dissolved in AcOEt and washed with water and brine. The organic phase was evaporated obtaining 730 mg of a pale yellow oil. Yield = 94% ‘HNMR (CDC13, 200 MHz) delta 3.13 (6H, s), 7.05 (1H, bs), 7.59 (1H, dd, J = 8.4 Hz, J’ = 0.6 Hz), 7.99 (1H, bs)

Statistics shows that 2-Chloro-4-(trifluoromethyl)benzonitrile is playing an increasingly important role. we look forward to future research findings about 1813-33-8.

Reference:
Patent; PHARMESTE S.R.L.; NAPOLETANO, Mauro; TREVISANI, Marcello; PAVANI, Maria Giovanna; FRUTTAROLO, Francesca; WO2011/120604; (2011); A1;,
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These common heterocyclic compound, 621-50-1, name is 2-(3-Nitrophenyl)acetonitrile, 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. Recommanded Product: 621-50-1

NaH (4.34 g, 90.4 mmol) was stirred in a solvent of tetrahydrofuran (20 mL) at 0 C. The reaction solution was slowly added with 2-(3-nitrophenyl)acetonitrile (2.2 g, 13.6 mmol), and stirred for about 30 minutes at 0 C. The reaction solution was added with MeI (6.67 mL, 107 mmol), followed by stirring for about 12 hours at room temperature. The reaction mixture was added with an ice water. The organic layer was separated out and the aqueous layer was extracted with ethyl acetate. The organic layer was dried over anhydrous sodium sulfate, filtered, and concentrated under reduced pressure. The concentrated compound was purified using silica gel chromatography (EA:HEX=1:9) to obtain the title compound (0.6 g, 23%). 1H-NMR Spectrum (300 MHz, DMSO-d6): delta 8.33 (s, 1H), 8.22 (d, 1H), 7.91 (d, 1H), 7.65 (t, 1H), 1.81 (s, 6H). MS (ESI+, m/z): 191 [M+H]+

The synthetic route of 2-(3-Nitrophenyl)acetonitrile has been constantly updated, and we look forward to future research findings.

Reference:
Patent; HANMI PHARM. CO., LTD.; Bae, In Hwan; Han, Sang Mi; Kwak, Eun Joo; Ahn, Young Gil; Suh, Kwee Hyun; US2015/191450; (2015); A1;,
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Adding a certain compound to certain chemical reactions, such as: 1187-42-4, name is Diaminomaleonitrile, 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 1187-42-4, SDS of cas: 1187-42-4

,2-bis(4-chlorophenyl)ethane-l,2-dione, (20 g, 71.65 mmol), diaminomaleonitrile (8.5 g,78.82 mmol) and acetic acid (6 ml) in ethanol (140 ml) and water (93 ml) were heated at75 °C overnight. The reaction mixture was cooled, and water was added. The precipitatewas filtered and washed with ethanol and then ether. The crude product was dissolved inDCM and treated with activated charcoal, then filtered through celite. After evaporation, asolid was formed and recrystallized from DCM/ethanol to give a pale yellow solid (17.3 g,69percent).JH NMR (400 MHz) 8 7.49 (d, 4H), 7.38 (d, 4H).

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, Diaminomaleonitrile, other downstream synthetic routes, hurry up and to see.

Reference:
Patent; ASTRAZENECA AB; WO2004/111039; (2004); A1;,
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Reference of 7153-22-2, The chemical industry reduces the impact on the environment during synthesis 7153-22-2, name is Ethyl 4-cyanobenzoate, I believe this compound will play a more active role in future production and life.

Ethyl 4-cyanobenzoate (10.0 g, 57.1 mmol) and propiononitrile (8.1 ml, 110 mmol) were dissolved in tetrahydrofuran (170 mL) and bis-(trimethylsilyl)lithiumamide (1.0 m in tetrahydrofuran, 120 mL, 120 mmol) was added to this solution dropwise at ambient temperature. The reaction mixture was allowed to stir overnight. The reaction mixture was quenched by addition of water and extracted with dichloromethane. The organic phase was discarded. The product-containing aqueous phase was acidified with aqueous hydrochloric acid solution (6 M) and extracted with dichloromethane (2x). The combined organic phase extracts were washed with water, dried over sodium sulfate and concentrated. The residue was resuspended in diethylether and vigorously stirred. The remaining solid was filtered, washed with diethylether and dried. The product (7.83 g, 75% yield) was used in the next step without further purification. LC-MS (method 9): Rt = 0.70 min; MS (ESIneg): m/z = 183 [M-H]”1H-NMR (400 MHz, dimethylsulfoxide-d6) delta [ppm]: 1.473 (3.09), 1.491 (3.18), 1.669 (2.16), 1.892 (16.00), 5.178 (0.78), 5.196 (0.77), 7.616 (0.53), 7.637 (0.59), 7.736 (3.94), 7.757 (4.82), 7.950 (4.87), 7.971 (4.05), 8.047 (0.42), 8.073 (1.09), 8.094 (1.90), 8.155 (2.02), 8.176 (1.19), 11.149 (1.39).

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, Ethyl 4-cyanobenzoate, other downstream synthetic routes, hurry up and to see.

Reference:
Patent; BAYER AKTIENGESELLSCHAFT; BAYER PHARMA AKTIENGESELLSCHAFT; GIESE, Anja; KLAR, Juergen; EHRMANN, Alexander; WILLWACHER, Jens; ENGEL, David; DIESKAU, Andre Philippe; KAHNERT, Antje; GROMOV, Alexey; SCHMECK, Carsten; LINDNER, Niels; MUeLLER, Thomas; ANDREEVSKI, Anna Lena; DREHER, Jan; COLLINS, Karl; (861 pag.)WO2018/69222; (2018); A1;,
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Adding a certain compound to certain chemical reactions, such as: 10496-75-0, name is 2-Methoxy-5-nitrobenzonitrile, 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 10496-75-0, Formula: C8H6N2O3

General procedure: 58.2 mol) of the 5-nitro-2-alkoxybenzonitrile prepared in the previous step was added to the reaction flask and the reduced iron powder(223. 8 mmol), ammonium chloride (29. 1 mmol), ethanol (15 mL) and water (45 mL), refluxed for 3 h,Diluted with ethyl acetate (50 mL * 3), washed with brine, dried over anhydrous sodium sulfate, filtered and concentrated to dryness under reduced pressure.The product was purified by column chromatography (ethyl acetate: petroleum ether = 1: 5 to 1: 1) to obtain pure product.

At the same time, in my other blogs, there are other synthetic methods of this type of compound, 2-Methoxy-5-nitrobenzonitrile, and friends who are interested can also refer to it.

Reference:
Patent; CHINA MEDICAL UNIVERSITY; MENG, FANHAO; ZHANG, TINGJIAN; WU, QINGXIA; WANG, LIN; SUN, QI; LIANG, JINGWEI; HE, XIN; (22 pag.)CN105294584; (2016); A;,
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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. 508203-48-3, name is 2,3-Difluoro-4-methylbenzonitrile, A new synthetic method of this compound is introduced below., category: nitriles-buliding-blocks

To a heterogenous solution of 2,3-difluoro-4-methylbenzonitrile (5.0 g, 32.6 mmol) in ethanol (11 1 mL) at 25C was added hydroxylamine hydrochloride (4.5 g, 65.3 mmol). The reaction mixture was heated at 80C for 2 hours. After cooling to room temperature the volatiles were removed under reduced pressure thus affording a white solid that was used in the next step without purification. (0432) NMR (400 MHz, DMSO-de) delta ppm: 9.30 (brs, 3H), 7.30 (m, 1 H), 6.95 (m, 1 H), 2.30 (s, 3H).

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; SYNGENTA PARTICIPATIONS AG; HOFFMAN, Thomas, James; STIERLI, Daniel; BEAUDEGNIES, Renaud; POULIOT, Martin; HAAS, Ulrich, Johannes; (111 pag.)WO2018/219773; (2018); A1;,
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