Application of 2032-34-0

The synthetic route of 2032-34-0 has been constantly updated, and we look forward to future research findings.

2032-34-0, name is 3,3-Diethoxypropanenitrile, 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: 3,3-Diethoxypropanenitrile

General procedure: Method I. A mixture of Py (4.4 ml) and AcOH (3.0 ml) was stirred and treated by the addition of 5-aminoazole1a-h (0.01 mol) and (2E)-(3-morpholin-4-yl)-acrylonitrile (2) (1.38 g, 0.01 mol). The obtained mixture was refluxed at 150C for 5 h. After refluxing, the mixture was cooled. The precipitate that formed was filtered off, washed with a small amount of EtOH, and dried. Method II. A solution (or suspension) of the appropriate aminoazole 1a-h (0.01 mol) in solvent (15 ml) (EtOH in the case of compound 3a, dioxane in the case of compounds 3b-h) was stirred at 50C and treated by adding 3,3-diethoxypropionitrile (4) (1.5 ml, 0.01 mol), then 36% HCl solution (0.86 ml, 0.01 mol). The reaction mixture was refluxed for 2.5-3 h, the suspension (or solution) was cooled to room temperature, and the target product was isolated by the method indicated for each particular compound.

The synthetic route of 2032-34-0 has been constantly updated, and we look forward to future research findings.

Reference:
Article; Gazizov, Denis A.; Fedotov, Victor V.; Gorbunov, Evgeny B.; Ulomskiy, Evgeny N.; Yeltsov, Oleg S.; Rusinov, Gennady L.; Rusinov, Vladimir L.; Chemistry of Heterocyclic Compounds; vol. 55; 6; (2019); p. 573 – 577; Khim. Geterotsikl. Soedin.; vol. 55; 6; (2019); p. 573 – 577,5;,
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Some scientific research about 87376-25-8

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Adding a certain compound to certain chemical reactions, such as: 87376-25-8, name is 2-Amino-4-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 87376-25-8, Product Details of 87376-25-8

General procedure: A mixture of 2-aminobenzonitrile 1a (0.3 mmol), trans-beta-nitrostyrene 2a (0.3 mmol), and CuBr (0.03mmol) in DMSO (2 mL) was stirred at 120 C for 8 hours till almost completed conversion of thesubstrates by TLC analysis. Then 30% NaCl solution (50 mL) was added to the mixture, which was thenextracted with EtOAc three times (3×50 mL). The extract was dried over anhydrous Na2SO4 andconcentrated in vacuo. The crude product was purified by column chromatography on silica gel (eluent:petroleumether/EtOAc) to afford the product 3a (70.8 mg, 89%) as a yellow solid.

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Reference:
Article; Cai, Qun; Chen, Hui; Liao, Meng; Liu, Yi; Peng, Na; Sheng, Hui-Yang; Yang, Mian; Chemistry Letters; vol. 49; 5; (2020); p. 526 – 529;,
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Simple exploration of 4,5-Dimethoxy-1-cyanobenzocyclobutane

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Adding a certain compound to certain chemical reactions, such as: 35202-54-1, name is 4,5-Dimethoxy-1-cyanobenzocyclobutane, 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 35202-54-1, name: 4,5-Dimethoxy-1-cyanobenzocyclobutane

A study using a number of bacterial inducers (propionitrile, benzonitrile, 4-bromobenzonitrile) showed that propionitrile provided the best induction of nitrilase activity with 3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile. (0103) The bacterial strains were induced with propionitrile at 72 mM for 72 hours, and the cells were taken up in 50 mL (twice concentrated, conc. 10 mg of cells per ml) of 0.1M phosphate buffer KH2PO4/K2HPO4 pH=7.3 and 3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile was added at a concentration of 10 mM in 2percent of DMSO v/vfinal. (0104) The fungal strains were induced with valeronitrile. (0105) All the reaction mixtures were stirred at 220 rpm at 30° C. in the case of the bacteria and at 27° C. in the case of the fungi and monitored for 96 hours by reverse-phase HPLC and by chiral-phase HPLC according to the methods described below: Reverse-Phase Analysis Chiral-Phase Analysis (0107) Chiralpak IC 250*4.6 column (0108) 30percent absolute ethanol+0.1percent TFA+70percent heptane+0.1percent TFA (0109) 1 ml/min 30° C. 288 nm The results obtained are collated in the Table below:

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Reference:
Patent; LES LABORATOIRES SERVIER; Pedragosa-Moreau, Sandrine; Lefoulon, Francois; (12 pag.)US9476071; (2016); B2;,
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Extended knowledge of 2-Fluoro-5-trifluoromethylbenzonitrile

The synthetic route of 4088-84-0 has been constantly updated, and we look forward to future research findings.

Application of 4088-84-0, A common heterocyclic compound, 4088-84-0, name is 2-Fluoro-5-trifluoromethylbenzonitrile, molecular formula is C8H3F4N, 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: 2-Fluoro-5-trifluoromethyl-benzonitrile (Matrix, 5.0 g, 26.5 mmol) and hydrazine (Aldrich, 1.28 g, 40 mmol) in IPA (10 mL) were heated to reflux for 2 hours. The solvent was removed to afford the title compound as white solid (5.3 g, 100%). MS: 202 (MH+).

The synthetic route of 4088-84-0 has been constantly updated, and we look forward to future research findings.

Reference:
Article; Zhang, Xuqing; Hufnagel, Heather; Hou, Cuifen; Opas, Evan; McKenney, Sandra; Crysler, Carl; O’Neill, John; Johnson, Dana; Sui, Zhihua; Bioorganic and Medicinal Chemistry Letters; vol. 21; 20; (2011); p. 6042 – 6048;,
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Share a compound : C8H6FN

The synthetic route of 185147-07-3 has been constantly updated, and we look forward to future research findings.

Reference of 185147-07-3, These common heterocyclic compound, 185147-07-3, name is 2-Fluoro-3-methylbenzonitrile, 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 81 : 3-Methyl-2-(2H-1 ,2,3-triazol-2-yl)benzonitrile.To a mixture of 2-fluoro-3-methylbenzonitrile (4.0 g, 29.6 mmol) and 2H-1 ,2,3- triazole (2.04 g, 29.6 mmol) in DMF (80 mL) was added potassium carbonate (8.26 g, 59.2 mmol). The resulting mixture was heated to 120 C for 2h. The mixture was cooled, diluted with water and extracted with EtOAc. The organic layers were combined, dried over Na2S04, filtered and concentrated. The residue was purified by FCC (Si02, ethyl acetate/hexanes, gradient 0-50%) to yield the title compound (1 .5 g, 26%). MS (ESI) mass calcd. for Ci0H8N4, 184.2; m/z found, 185.1 [M+H]+. 1H NMR (500 MHz, CDCI3): 7.95 (s, 2H), 7.66 (d, J = 7.7, 0.7 Hz, 1 H), 7.59 (d, J = 7.8, 0.6 Hz, 1 H), 7.50 (dd, J = 9.8, 5.7 Hz, 1 H), 2.20 (s, 3H).

The synthetic route of 185147-07-3 has been constantly updated, and we look forward to future research findings.

Reference:
Patent; JANSSEN PHARMACEUTICA NV; LETAVIC, Michael; RUDOLPH, Dale, A.; SAVALL, Brad, M.; SHIREMAN, Brock, T.; SWANSON, Devin; WO2012/145581; (2012); A1;,
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Extended knowledge of 658-99-1

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-(3,4-Difluorophenyl)acetonitrile, other downstream synthetic routes, hurry up and to see.

Synthetic Route of 658-99-1, 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. 658-99-1, name is 2-(3,4-Difluorophenyl)acetonitrile belongs to nitriles-buliding-blocks compound, it is a common compound, a new synthetic route is introduced below.

Preparation 10 4-Cyano-4-(3,4-difluorophenyl)-5-(1,3-dioxolan-2-yl)pentanoic acid A solution of 3,4-difluorobenzyl cyanide (20g, 0.13mol) in tetrahydrofuran (20ml) was added dropwise to a solution of lithium bis(trimethylsilyl)amide (1.0M, 144ml, 0,14mol) in tetrahydrofuran at 0C under nitrogen. The reaction mixture was allowed to warm to room temperature and stirred for 2 hours, after which time it was cooled to 0C and a solution of 2-bromomethyl-1,3-dioxolane (15ml, 0.14mol) in tetrahydrofuran (15ml) was added followed by tetra-n-butylammonium iodide (2g, 5.4mmol). The reaction mixture was warmed to room temperature and stirred for 18 hours. A further portion of solution of lithium bis(trimethylsilyl)amide in tetrahydrofuran (1M, 144ml, 0.14mol) was added dropwise to the reaction mixture at 0C and then the mixture was allowed to warm to room temperature over 5 hours. The reaction mixture was cooled to 0C and a solution of ethyl 3-bromopropionate (18ml, 0.14mol) in tetrahydrofuran (20ml) was added dropwise. The reaction mixture was allowed to warm to room temperature and stirred for 18 hours. A solution of sodium hydroxide (7.8g, 0.20mol) in water (50ml) was added to the crude reaction mixture at 0C and the mixture then allowed to warm to room temperature. The reaction mixture was stirred for 36 hours. The reaction mixture was partitioned between water and diethyl ether, the organic layer re-extracted with water and the combined aqueous layers were acidified to pH 1.0 with aqueous hydrochloric acid (2N). The aqueous layer was extracted with ethyl acetate (x2), dried over Na2SO4and the solvent removed under reduced pressure. The residue was purified by column chromatography on silica gel eluding with a gradient system of dichloromethane gradually changing to dichloromethane: methanol: acetic acid (95: 5: 1, by volume) to afford the title compound as a brown oil (15.0g, 37%) which solidified on standing. 1H-NMR (CDCl3): delta = 7.30 (1H, m), 7.20 (2H, m), 4.80 (1H, m), 3.95 (2H, m), 3.80 (2H, m), 2.50 (2H, m), 2.30 (2H, m), 2.20 (2H, m). m/z: 312 (MH+).

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-(3,4-Difluorophenyl)acetonitrile, other downstream synthetic routes, hurry up and to see.

Reference:
Patent; PFIZER INC.; Pfizer Limited; EP992493; (2000); A1;,
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Continuously updated synthesis method about C8H6FN

The synthetic route of 501-00-8 has been constantly updated, and we look forward to future research findings.

501-00-8, name is 2-(3-Fluorophenyl)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. Safety of 2-(3-Fluorophenyl)acetonitrile

2-Chloro-N-(2-chloroethyl)ethanaminium chloride (12.5 g, 70.2 mmol) was stirred in 351 mL of THF. To this mixture was added triethylamine (10.3 mL, 73.7 mmol) and then di-tert-butyl dicarbonate (16.1 g, 73.7 mmol), which was stirred for 19 hours. The reaction was diluted with dichloromethane (250 mL), washed with water (3 x 250 mL), and partitioned between water and dichlormethane. The organic layer was dried over sodium sulfate, filtered, and concentrated to afford tert-butyl bis(2-chloroethyl)carbamate. A mixture of 3-fluorophenylacetonitrile (200 mg, 1.48 mmol) and tert-butyl bis(2- chloroethyl)carbamate (358 mg, 1.48 mmol) was dissolved in 14.8 mL of anhydrous DMSO. The reaction was purged with a stream of nitrogen and cooled to 18 0C. To this reaction was added sodium hydride (358 mg, 1.48 mmol), which was then warmed to ambient temperature and stirred for 2 hours. The reaction was warmed to 50 0C and stirred for 17 hours. The mixture was diluted with dichloromethane (40 mL), washed with water (3 x 40 mL), and partitioned between water and dichloromethane. The organic layer was dried over sodium sulfate, filtered, concentrated, and subjected to silica gel chromatography eluting with 0-20% EtOAc in hexanes. Collection of product containing fractions and removal of solvent yielded tert-butyl 4-cyano-4- (3-fluorophenyl)piperidine- 1 -carboxylate. The title compound was prepared in a manner analogous to that described inExample 1 that gave a proton NMR spectrum consistent with theory and a high resolution mass spectrum (ES+) m/z of 406.1575 calculated for M+H+ [C23H20FiN3O3: 406.1562]: 1H NMR (500 MHz, CD3OD) delta 9.56 (d, J= 7.1 Hz, IH), 8.70 (s, IH), 8.47 (d, J= 9.0 Hz, IH), 8.18 (t, J= 7.9 Hz, IH), 7.72 (t, J= 6.8 Hz, IH), 7.46-7.51 (m, IH), 7.37 (d, J= 8.6 Hz, IH), 7.30 (d, J= 10.0 Hz, IH), 7.16 (t, J= 8.4 Hz, IH), 4.67 (bs, 2H), 3.65 (m, 2H), 3.37 (m, 2H), 2.46 (d, J= 14.2 Hz, 2H), 2.29 (m, 2H).

The synthetic route of 501-00-8 has been constantly updated, and we look forward to future research findings.

Reference:
Patent; MERCK & CO., INC.; WO2009/51715; (2009); A1;,
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Extended knowledge of 15666-97-4

These compound has a wide range of applications. It is believed that with the continuous development of the source of the synthetic route Octyl 2-cyanoacetate, its application will become more common.

Application of 15666-97-4,Some common heterocyclic compound, 15666-97-4, name is Octyl 2-cyanoacetate, molecular formula is C11H19NO2, 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 solution of compound 1 (575 mg, 1 mmol) in chloroform (30 mL), octyl cyanoacetate (601 mg, 3.05 eq) and two drops of triethylamine were added, and the mixture was refluxed overnight under nitrogen. After cooling to r.t., DCM was added and the solution was washed with water and dried over MgSO4. After solvent was removed by evaporation, the residue was purified through column chromatography (silica gel, petroleum ether:ethyl acetateof 2:1 in v:v) to give target compound (890 mg) as a deep orange solid with yield of 80%. 1H NMR (300 MHz, CDCl3) (ppm): 8.28 (s, 3H), 7.75-7.73 (d, 3H, J 7.4 Hz), 7.65-7.63 (d, 6H, J 8.7 Hz),7.38-7.37 (d, 3H, J 4.0 Hz), 7.20-7.17 (d, 6H, J 8.7 Hz), 4.31-4.27 (t, 6H, J 6.7 Hz), 1.77-1.70 (m, 6H), 1.42-1.28 (m, 30H), 0.89e0.85(m, 9H). 13C NMR (75 MHz, CDCl3) (ppm): 163.1, 153.9, 147.6, 146.4,139.3, 134.6, 128.2, 127.8, 124.7, 124.7, 123.9, 116.1, 97.7, 66.6, 31.8,29.2, 29.1, 28.6, 25.8, 22.6, 14.1. FTIR (KBr, cm-1): 3023, 2956, 2924,2854, 2215 (C?N), 1719 (C?O), 1580, 1495, 1438, 1327, 1279, 1217,1189, 1096, 1066. MS (MALDI-TOF) calcd for C66H72N4O6S3 1112.461, found 1112.366. Melting point (Mp) 146.2 C. HRMS: M+ calcd for 1112.4506, found 1112.4512.

These compound has a wide range of applications. It is believed that with the continuous development of the source of the synthetic route Octyl 2-cyanoacetate, its application will become more common.

Reference:
Article; Li, Wei; Li, Qingduan; Duan, Chunhui; Liu, Shengjian; Ying, Lei; Huang, Fei; Cao, Yong; Dyes and Pigments; vol. 113; (2015); p. 1 – 7;,
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Extracurricular laboratory: Synthetic route of 2-Amino-6-fluorobenzonitrile

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-Amino-6-fluorobenzonitrile, other downstream synthetic routes, hurry up and to see.

Related Products of 77326-36-4, The chemical industry reduces the impact on the environment during synthesis 77326-36-4, name is 2-Amino-6-fluorobenzonitrile, I believe this compound will play a more active role in future production and life.

General procedure: To a solution of amino alcohol (0.91 eq.) inanhydrous THF (5 ml) was added NaH as a 60% dispersion in oil (1.0 eq.). Themixture was stirred at 0 C for 30 min, at r.t. for another 30 min beforecooling down to 0 C again. 2-Amino-6-fluorobenzonitrile (1.0 eq.) was addedand the reaction was refluxed for 2 hours before cooling down to r.t. H2O(0.7 ml) was added and the solvents were evaporated in vacuo. The residue was purified by flash column chromatography.

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Reference:
Article; Hensbergen, Albertus Wijnand; Mills, Vanessa R.; Collins, Ian; Jones, Alan M.; Tetrahedron Letters; vol. 56; 46; (2015); p. 6478 – 6483;,
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Continuously updated synthesis method about C8H5F3N2

The synthetic route of 654-70-6 has been constantly updated, and we look forward to future research findings.

Related Products of 654-70-6, 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.

EXAMPLE 1 Thionyl chloride (0.6 ml.) was added to a stirred solution of 2-hydroxy-2-methyl-3-phenylthiopropionic acid (1.7 g.) in N,N-dimethylacetamide (40 ml.) which was cooled to -15 C., at such a rate that that temperature was maintained, and the mixture was stirred at that temperature for 15 minutes. 4-Cyano-3-trifluoromethylaniline (1.5 g.) was added, the mixture was stirred at -15 C. for 30 minutes and then at laboratory temperature for 15 hours, and was then poured into water (800 ml.). The mixture was extracted six times with diethyl ether (80 ml. each time) and the combined extracts were washed successively (50 ml. portions each time) twice with aqueous 3N-hydrochloric acid, once with saturated aqueous sodium chloride solution, twice with saturated aqueous sodium bicarbonate solution, and again once with saturated aqueous sodium chloride solution, dried over magnesium sulphate and evaporated to dryness under reduced pressure. The residue was purified by chromatography on a silica gel column (Merck 7734) using methylene chloride as eluant. The product was crystallized from a 5:1 v/v mixture of toluene and petroleum ether (b.p. 60-80 C.) and there was thus obtained 4-cyano-3-trifluoromethyl-N-(2-hydroxy-2-methyl-3-phenylthiopropionyl)aniline, m.p. 81.5-83 C.

The synthetic route of 654-70-6 has been constantly updated, and we look forward to future research findings.

Reference:
Patent; Imperial Chemical Industries PLC; US4636505; (1987); A;,
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