Category: 876-31-3

Reference of 876-31-3, 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. 876-31-3, name is 4-(Cyanomethyl)benzonitrile belongs to nitriles-buliding-blocks compound, it is a common compound, a new synthetic route is introduced below.

4-(1-Cyanocyclopentyl)benzonitrile [S11]. In a flamed dried 50 mL flask, 710.8 mg (5.0 mmol) of 2-(4-cyanophenyl)acetonitrile was dissolved in 7.5 mL anhydrous DMF. 316.0 mg (95% purity, 12.5 mmol, 2.5 equiv.) of NaH was added in portions at 0 C. and the reaction was allowed to stir for 1 hour at 0 C. 1.0797 g (0.59 mL, 5.0 mmol, 1.0 equiv.) of 1,4-dibromobutane was added dropwise at 0 C. and the reaction was allowed to stir overnight at room temperature. The reaction was quenched carefully with -10 mL water and extracted with 30 mL EtOAc three times. The combined organic layer was washed with 50 mL brine, dried with MgSO4, filtered, and concentrated. Flash column chromatography on silica (50 mm fritted glass column, 300 mL SiO2) using 5% EtOAc/hexanes?10% EtOAc/hexanes as eluent gave 880.1 mg (4.48 mmol) of pure product as a colorless oil (90% yield). 1H-NMR (500 MHz, CDCl3) delta 7.69-7.67 (m, 2H), 7.59-7.57 (m, 2H), 2.52-2.48 (m, 2H), 2.09-1.94 (m, 6H). 13C-NMR (126 MHz, CDCl3) delta 145.2, 132.8, 127.0, 123.3, 118.3, 112.0, 48.0, 40.7, 24.5. HRMS (EI+) m/z calculated for C13H12N2 [M]+: 196.1000, found 196.1004.

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-(Cyanomethyl)benzonitrile, other downstream synthetic routes, hurry up and to see.

Reference:
Patent; The Board of Trustees of the University of Illinois; WHITE, M. Christina; ZHAO, Jinpeng; (94 pag.)US2020/87331; (2020); 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. 876-31-3, name is 4-(Cyanomethyl)benzonitrile, A new synthetic method of this compound is introduced below., Application In Synthesis of 4-(Cyanomethyl)benzonitrile

General procedure: To a solution of alpha,beta-unsaturated ketones 3 (0.30 mmol) in CH2Cl2 (0.6 mL) at room temperature was added pyrrolidine (0.060 mmol) followed by addition of 2-arylacetate or 2-arylacetonitrile 2 (0.45 mmol). The resulting solution was stirred at room temperature until complete consumption of alpha,beta-unsaturated ketones 3 was observed as determined by TLC. The resulting mixture was direct purified by silica gel chromatography to afford desired compounds 4 and 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:
Article; Do, Jungho; Kim, Sung-Gon; Tetrahedron Letters; vol. 52; 18; (2011); p. 2353 – 2355;,
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Electric Literature of 876-31-3, These common heterocyclic compound, 876-31-3, name is 4-(Cyanomethyl)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.

General procedure: Under N2 atmosphere, dinitrile 1 (0.2 mmol), potassium phenyltrifluoroborate 2 (147 mg, 0.8 mmol), Pd(OAc)2 (4.49 mg, 10 mol %), L4 (7.2 mg, 20 mol %), TFA/H2O (0.4 mL/0.4mL), and 2-MeTHF (2 mL) were successively added into a Schlenk reaction tube. The reaction mixture was stirred vigorously at 80 C for 48 h. After the completion of the reaction, the mixture was poured into ethyl acetate, which was washed with saturated NaHCO3 (2 × 10 mL) and then brine (1 × 10 mL). After the aqueous layer was extracted with ethyl acetate, the combined organic layers were dried over anhydrous Na2SO4 and evaporated under reduced pressure. The residue was purified by flash column chromatography (hexane/ethyl acetate) to afford the desired products 3. The physical and spectroscopic data of compounds 3a-h follow.

Statistics shows that 4-(Cyanomethyl)benzonitrile is playing an increasingly important role. we look forward to future research findings about 876-31-3.

Reference:
Article; Wang, Xingyong; Wang, Qingzong; Chen, Jiuxi; Liu, Miaochang; Ding, Jinchang; Wu, Huayue; Journal of Chemical Research; vol. 37; 8; (2013); p. 470 – 472;,
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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 876-31-3 as follows. name: 4-(Cyanomethyl)benzonitrile

10-Ethylphenothiazine-3-carbaldehyde (10 mmol, 2.55 g) and 4-(cyanomethyl)benzonitrile (10 mmol, 1.42 g)Dissolve in ethanol (20 mL) and THF (10 mL), then add ammonium acetate (10 mmol, 0.77 g) to the reaction system.The mixture was stirred at room temperature for 12 hours. After the reaction and filtration are complete, the crude product is purified by column chromatography.Ethyl acetate:n-hexane=1:4 was used as an eluent. 4-(1-cyano-2-(10-ethyl-phenothiazine-3-yl)vinyl)benzonitrile (3.15 g, yield 83%) was obtained as a red powdery solid.

According to the analysis of related databases, 876-31-3, the application of this compound in the production field has become more and more popular.

Reference:
Patent; Guangzhou Woman Child Medical Treatment Center; Gong Sitang; Xu Wanfu; Geng Lanlan; Yang Min; Chen Peiyu; Xu Chaohui; He Liying; Chen Huan; Ye Liping; Wang Hongli; Li Huiwen; Xie Jing; Zhao Junhong; Xiong Liya; Liang Cuiping; Cheng Yang; Cao Meiwan; (12 pag.)CN107501207; (2017); A;,
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These common heterocyclic compound, 876-31-3, name is 4-(Cyanomethyl)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. COA of Formula: C9H6N2

a) 4-Cyanophenylacetic acid 1 g (7.03 mMol) of 4-cyanophenylacetonitrile was added to conc. hydrochloric acid preheated to 105C and kept at this temperature for 5 minutes. It was cooled to 0C, the precipitate formed was collected and washed thoroughly with ice water. After purification by column chromatography on silica gel (Macherey-Nagel, 35-70 mesh ASTM) using ethyl acetate/methanol/glacial acetic acid = 95/5/0.5 (v/v/v) as eluant, 0.5 g (44% of theory) of colourless crystals were obtained Mp. 152.154C. IR (KBr): 2229.6 (C N), 1697.2 (Carboxylic acid-C=O) cm-1

The synthetic route of 4-(Cyanomethyl)benzonitrile has been constantly updated, and we look forward to future research findings.

Reference:
Patent; Dr. Karl Thomae GmbH; EP885186; (2003); B1;,
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Synthetic Route of 876-31-3, 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. 876-31-3, name is 4-(Cyanomethyl)benzonitrile belongs to nitriles-buliding-blocks compound, it is a common compound, a new synthetic route is introduced below.

4-(1-Cyanocyclopentyl)benzonitrile [S11]. In a flamed dried 50 mL flask, 710.8 mg (5.0 mmol) of 2-(4-cyanophenyl)acetonitrile was dissolved in 7.5 mL anhydrous DMF. 316.0 mg (95% purity, 12.5 mmol, 2.5 equiv.) of NaH was added in portions at 0 C. and the reaction was allowed to stir for 1 hour at 0 C. 1.0797 g (0.59 mL, 5.0 mmol, 1.0 equiv.) of 1,4-dibromobutane was added dropwise at 0 C. and the reaction was allowed to stir overnight at room temperature. The reaction was quenched carefully with -10 mL water and extracted with 30 mL EtOAc three times. The combined organic layer was washed with 50 mL brine, dried with MgSO4, filtered, and concentrated. Flash column chromatography on silica (50 mm fritted glass column, 300 mL SiO2) using 5% EtOAc/hexanes?10% EtOAc/hexanes as eluent gave 880.1 mg (4.48 mmol) of pure product as a colorless oil (90% yield). 1H-NMR (500 MHz, CDCl3) delta 7.69-7.67 (m, 2H), 7.59-7.57 (m, 2H), 2.52-2.48 (m, 2H), 2.09-1.94 (m, 6H). 13C-NMR (126 MHz, CDCl3) delta 145.2, 132.8, 127.0, 123.3, 118.3, 112.0, 48.0, 40.7, 24.5. HRMS (EI+) m/z calculated for C13H12N2 [M]+: 196.1000, found 196.1004.

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-(Cyanomethyl)benzonitrile, other downstream synthetic routes, hurry up and to see.

Reference:
Patent; The Board of Trustees of the University of Illinois; WHITE, M. Christina; ZHAO, Jinpeng; (94 pag.)US2020/87331; (2020); A1;,
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts

Application of 876-31-3, The chemical industry reduces the impact on the environment during synthesis 876-31-3, name is 4-(Cyanomethyl)benzonitrile, I believe this compound will play a more active role in future production and life.

To a stirred and ice-cooled solution of sodium methoxide (0.388 g, 7.1802 mmol) in methanol (30 ml), 4-cyanophenylacetonitrile (0.817 g, 5.7442 mmol) and 1 – azido-2,4-dichloro-benzene (0.900 g, 4.7868 mmol) are added portion wise under a nitrogen atmosphere. The reaction mixture is allowed to attain room temperature spontaneously overnight, concentrated in vacuo, added water and extracted with ethylacetate (3 x 100 ml). The combined organic layers are dried over MgSO4, filtered and evaporated to give a dark brown gummy residue (1 .425 g, 90% mass balance). This crude material is purified by column chromatography over silica gel (230-400 mesh) eluting with 20% ethylacetate in petroleum ether, to afford the title compound as a yellow solid (0.450 g, 29% yield). LC-ESI-HRMS of [M+H]+ shows 330.0319 Da. CaIc. 330.031326 Da, dev. 1 .7 ppm.

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-(Cyanomethyl)benzonitrile, other downstream synthetic routes, hurry up and to see.

Reference:
Patent; NeuroSearch A/S; WO2009/19278; (2009); A1;,
Nitrile – Wikipedia,
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876-31-3, A common compound: 876-31-3, name is 4-(Cyanomethyl)benzonitrile, belongs to nitriles-buliding-blocks compound, it can change the direction of chemical reaction, and react with certain compounds to generate new functional products. A new synthetic method of this compound is introduced below.

General procedure: Benzonitrile 1a (103 mg, 1.0 mmol) and WEPPA (2.0 mL) were added into a 10-mL closed tubewith a stir bar. Then the reaction was stirred in a closed vessel synthesis reactor at 150 C for 0.5 h.After cooling to ambient temperature, the resulting precipitate was collected by filtration, washed withice water, and further dried in a vacuum drying oven. The filtrate was evaporated under reducedpressure. The resultant residue was purified by silica gel column chromatography (eluent: petroleumether (35-60 C)/EtOAc = 2:1 to 0:1, v/v). Finally, these two parts were combined to produce the desiredbenzamide 2a with a 94% yield.

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-(Cyanomethyl)benzonitrile, other downstream synthetic routes, hurry up and to see.

Reference:
Article; Sun, Yajun; Jin, Weiwei; Liu, Chenjiang; Molecules; vol. 24; 21; (2019);,
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876-31-3, The chemical industry reduces the impact on the environment during synthesis 876-31-3, name is 4-(Cyanomethyl)benzonitrile, I believe this compound will play a more active role in future production and life.

General procedure: The general procedure for the synthesis and characterization of 1,1?-ferrocenyl-diacrylonitriles is displayed in Scheme 1 and has been previously reported [20]. In brief, 1,1?-ferrocenedicarboxaldehyde and substituted phenylacetonitriles (2.2 Eq.) were mixed in a Pyrex tube fitted with a ground glass joint. The compounds were thoroughly ground in the open air with a glass rod in the presence of 1-2 drops of piperidine to form a melt. The melt was first dried in open air, followed by drying under a vacuum line. The dry products were purified by means of silica gel chromatography. Formation of the products was determined by use of IR or NMR spectroscopy (1H- and 13C-NMR). In the solid-state IR spectra, the formation of the products was characterized by the disappearance of the sharp carbonyl absorption band at approximately 1650cm-1 and the appearance of a strong nitrile absorption band at approximately 2200cm-1. The 1H- and 13C-NMR spectra showed the disappearance of the carbonyl resonance (?10ppm) and the appearance of alkene resonance peaks (?7.4ppm). Pure compounds were further analyzed by melting point determination (DSC), mass spectrometry, microanalysis, and X-ray diffraction. 4.2.1 1,1?-Ferrocenyldi[-2(4-cyanophenyl)acrylonitrile] (para-CN catalyst) The general procedure for the synthesis of this catalyst is described in Section 4.2 and involves the use of 1,1?-ferrocenyldicarboxaldehyde (145.0 mg, 0.60 mmol) and 4-cyanophenylacetonitrile (188.0 mg, 1.32 mmol). Upon grinding, a deep maroon paste was formed which was dried to obtain a maroon solid. Reaction completion was monitored by use of preparative TLC plates with a solvent system of hexane/diethyl ether (1:1). The final product was then purified by means of column chromatography with a solvent system of hexane/diethyl ether (1:1) to obtain dark maroon crystals (219.0 mg, 74%) as the desired product and 37.0 mg of the recovered starting (1,1?-ferrocenedicarboxaldehyde). Product d.p. ca. 325 C; IR (cm-1) 3182, 2926, 2852, 2213, 1608, 1587, 1510, 1452, 1417, 1371, 1319, 1251, 1180, 1035, 996, 918, 830, 819, 542, 501, 486, 456, 425; 1H-NMR spectra (CDCl3) 7.55 (4H, d, J 8.4 Hz, ArH), 7.47 (4H, d, J 8.5 Hz, ArH), 7.34 (2H, s, CH), 5.08 (4H, s, C5H4), 4.65 (4H, s, C5H4); 13C-NMR spectra (CDCl3) 132.7, 125.3, 77.2, 73.7, 72.2; HR-MS (C30H18FeN4) ES: [M + H+] m/z calc. 491.0959, found 491.0969.

The chemical industry reduces the impact on the environment during synthesis 4-(Cyanomethyl)benzonitrile. I believe this compound will play a more active role in future production and life.

Reference:
Article; Ombaka; Ndungu; Omondi; McGettrick; Davies; Nyamori; Journal of Solid State Chemistry; vol. 235; (2016); p. 202 – 211;,
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876-31-3, 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. 876-31-3, name is 4-(Cyanomethyl)benzonitrile belongs to nitriles-buliding-blocks compound, it is a common compound, a new synthetic route is introduced below.

General procedure: A solution of 10 (4 mmol, 1 equiv.), appropriate 4-cyanophenylacetonitrile (5.24 mmol, 1.3 equiv.),and anhydrous DMF (10 mL) was stirred for 0.5 h at 15 C under N2. Then, NaH (13.71 mmol; 60%dispersion in mineral oil, 2 equiv.) was added portion-wise at 15 C. Then, the mixture was stirredat 15 C for another 2 h, warmed to room temperature, and then reacted for 48-72 h (monitored byTLC). The resulting mixture was poured into a saturated ammonium chloride solution. The precipitatewas collected by filtration and the residue was then purified via column chromatography on silica gel,eluting with EtOAc/petroleum ether (1:3) to obtain compounds A1-A12 and B1-B6 as white or yellowsolids. Full characterization data for all final compounds can be found in the Supporting Information. 4-(4-(cyano-(4-cyanophenyl)methyl)-pyrimidin-2-ylamino)benzonitrile (A1) Yield = 87%. mp:243.2-244.7 C. 1H NMR (400 MHz, THF-d8) 9.39 (s, NH), 8.40 (d, J = 5.0 Hz, 1H), 7.80 (d, J = 8.7 Hz,2H), 7.68 (d, J = 8.2 Hz, 2H), 7.58 (d, J = 8.2 Hz, 2H), 7.48 (d, J = 8.7 Hz, 2H), 6.86 (d, J = 5.0 Hz, 1H), 5.53(s, 1H). 13C NMR (101 MHz, THF-d8) 163.6, 159.6, 159.3, 143.8, 139.0, 132.4 (2C), 132.2 (2C), 128.6 (2C),120.3, 118.2 (2C), 117.1, 116.8, 112.5, 110.4, 104.3, 43.5. HRMS (ESI): m/z calcd for C20H12N6 [M H]+335.1051, found 335.1053.

The synthetic route of 876-31-3 has been constantly updated, and we look forward to future research findings.

Reference:
Article; Chen, Fen-Er; Li, Ting-Ting; Pannecouque, Christophe; Zhuang, Chun-Lin; de Clercq, Erik; Molecules; vol. 25; 7; (2020);,
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