Category: nitriles-buliding-blocks

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. 4640-66-8, name is 4-Chlorophenacylcyanide, A new synthetic method of this compound is introduced below., Recommanded Product: 4-Chlorophenacylcyanide

To a stirred solution of 3-(4-chlorophenyl)-3-oxopropanenitrile (XL; 1.5 g; 8.3 mmol) in ethanol (75 mL) was added hydrazine hydrate (0.8g; 16.7 mmol). The reaction mixture was heated to a reflux for 12 hours. The reaction mixture was cooled and concentrated underreduced pressure and then diluted with water. The aqueous layer was extracted using ethyl acetate (3 x 2OmL) and triturated with hexane to afford 3-(4-chlorophenyl)-1H-pyrazol-5- amine as a yellow solid (XLI; 1 g, 60% yield). ?H NMR (400 MHz, CDC13): oe 11.81 (bs, 1H),7.67-7.65 (d, J = 8.4 Hz, 2H), 7.42-7.40 (d, J = 8.4 Hz, 2H), 5.74 (s, 1H), 4.85 (bs, 2H). MS (M-1): 192.27.

The synthetic route of 4640-66-8 has been constantly updated, and we look forward to future research findings.

Reference:
Patent; NORGINE B.V.; BAKTHAVATCHALAM, Rajagopal; BASU, Manas Kumar; BEHERA, Ajit Kumar; VENKATESHAPPA, Chandregowda; HEWSON, Christopher Alexander; KADNUR, Sanjay Venkatachalapathi; KALINDJIAN, Sarkis Barret; KULKARNI, Bheemashankar; SAXENA, Rohit; SURESH, Juluri; VISWANATHAN, Vellarkad; ZAINUDDIN, Mohd; DHARSHINIS, Akila Parvathy; KRISTAM, Rajenda; WO2015/97122; (2015); A1;,
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Adding a certain compound to certain chemical reactions, such as: 21803-75-8, name is 4-Amino-3-chlorobenzonitrile, 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 21803-75-8, category: nitriles-buliding-blocks

To a stirred solution of 4-annno-3-ehtorobenzonitrile (HX; 1.0 g, 6.55 mmo ) in DMF (20 mL) under argon atmosphere was added potassium O-ethylcarbonodithioate (2.62 g, 16.38 mmol)) atRT. The reaction mixture was stirred at 1 10 C for 16 h. The reaction mixture was diluted water (30 mL) and acidified using 2iV HCi to pH=2, to obtain the solid. The solid was filtered, washed with Hexane (2 x 20 mL) and dried under reduced pressure to obtain compound HY (700 mg, 3.64 nnnoL 56%) as yellow solid. *H NMR (500 MHz, DMSO-<): delta 14.3 (br s, 1H), S.24 (s, 1 H), 7.83 (dd, J= 8.1, 1.2 Hz, 1 H), 7.41 (d, J = 8. Hz. 1H). 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-Amino-3-chlorobenzonitrile, other downstream synthetic routes, hurry up and to see. Reference:
Patent; VIAMET PHARMACEUTICALS, INC.; YATES, Christopher, M.; SHAVER, Sammy, R.; HOEKSTRA, William, J.; (455 pag.)WO2017/117393; (2017); A1;,
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Electric Literature of 57381-37-0,Some common heterocyclic compound, 57381-37-0, name is 2-Bromo-5-chlorobenzonitrile, molecular formula is C7H3BrClN, 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 35; 5-chloro-1-[5-chloro-2-(2-oxopyrrolidin-1-yl)benzyl]-2-imino-1,2-dihydropyridine-3-carboxamide hydrochloride; (Step 1); To a solution (139 ml) of 2-bromo-5-chlorobenzonitrile (15.0 g), pyrrolidin-2-one (7.90 ml) and cesium carbonate (45.2 g) in 1,4-dioxane were added tris(dibenzylideneacetone)dipalladium (1.59 g) and 4,5-bis(biphenylphosphino)-9,9-dimethylxanthine (2.0 g) at room temperature under a nitrogen atmosphere, and the mixture was heated under reflux for 3 hr. The mixture was allowed to cool to room temperature, and extracted with ethyl acetate and water. The organic layer was filtered through celite, and washed with ethyl acetate. The filtrate was dried over sodium sulfate, and filtered. The solvent was evaporated under reduced pressure. The obtained residue was purified by column chromatography (ethyl acetate_hexane=1:10?1:1) to give 5-chloro-2-(2-oxopyrrolidin-1-yl)benzonitrile (12.5 g) as yellow crystals. 1H NMR (400 MHz, CD3OD) delta ppm 2.24-2.31 (2H, m) 2.62 (2H, t, J=8.0 Hz), 3.94 (2H, t, J=6.8 Hz) 7.39 (1H, d, J=9.2 Hz) 7.60 (1H, dd, J=2.4, 8.8 Hz) 7.67 (1H, d, J=2.4 Hz).

These compound has a wide range of applications. It is believed that with the continuous development of the source of the synthetic route 2-Bromo-5-chlorobenzonitrile, its application will become more common.

Reference:
Patent; TAKEDA PHARMACEUTICAL COMPANY LIMITED; US2009/270393; (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. 218632-01-0, name is 3-Fluoro-4-nitrobenzonitrile, A new synthetic method of this compound is introduced below., HPLC of Formula: C7H3FN2O2

To a solution of 3-fluoro-4-nitrobenzonitrile (6.3 g; 37.93 mmol) and 2-bromophenol (4.4 mL; 37.94 mmol) in DMF (50 mL) was added potassium carbonate (6.29 g; 45.51 mmol). The mixture was stirred for 5 h at rt. Water (100 mL) was added, and a precipitate formed. The solid was separated via filtration, washed with water, and dried to yield 11.20 g (92.5%) of 3-(2-bromo-phenoxy)-4-nitrobenzonitrile, 1a.

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; Coats, Steven J.; Dax, Scott L.; DeCorte, Bart; Liu, Li; McDonnell, Mark; McNally, James J.; US2006/148823; (2006); A1;,
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These common heterocyclic compound, 2032-34-0, name is 3,3-Diethoxypropanenitrile, 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: 2032-34-0

To a solution of ethyl 1 -amino- 1 H-pyrrole-2-carboxylate lib (3.0 g, 19.46 mmol) in EtOH (100 mL) was added 3,3-diethoxypropanenitrile (25 mL, 95%, 158.23 mmol), IN HC1 (aq. 5 mL) and heated at reflux for 18 h. The reaction mixture was cooled to RT, treated with DBU (32.5 mL, 213.18 mmol), and heated at reflux for 1 h. The reaction mixture was concentrated in vacuo and the residue obtained was diluted with ethyl acetate (300 mL), extracted with water (200 mL, 150 mL). The aqueous layers were combined acidified with 4 N HC1 to pH = 1 and extracted with chloroform/methanol (3:1, 4 x 200 mL). The combined chloroform layers were dried over MgS04 filtered and concentrated in vacuum. The residue obtained was purified by flash column chromatography [silica gel 120 g, eluting with hexanes/ethyl acetate/MeOH, 1 : 1 :0 to 2:2: 1 (Rf = 0.35 with hexanes/ethyl acetate/MeOH = 2:2:1)] to furnish 4-hydroxy-[l,2-b]pyridazine-3-carbonitrile 11c (1.44 g, 47%) as a brown solid; NMR (300 MHz, DMSO- 6): delta 8.16 (s, 1H), 7.90 (dd, J= 1.6, 2.6 Hz, 1H), 7.08 (dd, J = 1.6, 4.5 Hz, 1H), 6.80 (dd, J= 2.6, 4.5 Hz, 1H); MS (ES”): 157.8 (M – H).

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

Reference:
Patent; BIOCRYST PHARMACEUTICALS, INC.; BABU, Yarlagadda, S.; KOTIAN, Pravin, L.; WU, Minwan; WO2011/150356; (2011); A1;,
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Reference of 4640-67-9, 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. 4640-67-9, name is 3-(4-Fluorophenyl)-3-oxopropanenitrile belongs to nitriles-buliding-blocks compound, it is a common compound, a new synthetic route is introduced below.

The polyphosphoric acid 300g adding 1L the reaction bottle heating to 120 C, adding compound 3 (100g, 0.61 muM), ring octanone (161.7g, 1 . 28 muM), add 1 – ethyl -3 – methyl imidazole four fluoroborates (30g, 0.15 muM) reaction 1h, after the reaction, by adding 300 ml ice water, 1000 ml ethyl acetate, stirring 30min, then adding NaOH in and to the neutral, separating the organic layer, the organic layer dried with magnesium sulfate, filtered, the filtrate is concentrated to dry, adding isopropanol (300 ml) reflux 30min stirred and cooled to 0 C after, stirring 1h, filtered and dried to obtain white solid 4 (120g, 99.8%),

The synthetic route of 3-(4-Fluorophenyl)-3-oxopropanenitrile has been constantly updated, and we look forward to future research findings.

Reference:
Patent; Nanjing Yuan Shu Pharmaceutical Technology Co., Ltd; Jin, Guofan; Jin, Feng; Wang, Kai; Zheng, Bing; Fu, Yan; Jin, Zaishan; Liu, Jiongzhe; (6 pag.)CN106045909; (2016); A;,
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Related Products of 51762-67-5, 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. 51762-67-5, name is 3-Nitrophthalonitrile belongs to nitriles-buliding-blocks compound, it is a common compound, a new synthetic route is introduced below.

3-nitrophthalonitrile (20 mmol) and 2,4,6-tris(dimethylaminomethyl)-phenol (20-70 mmol, preferably 60 mmol) as reactants, dimethyl sulfoxide (40) -200 mL, preferably 140 mL, is the solvent, and the reaction is stirred at room temperature ~ 60C (preferably 60C) for 24 to 72 hours in the presence of potassium carbonate (30 to 90 mmol, preferably 80 mmol) and nitrogen, and monitored by thin layer chromatography. Should be filtered to remove the reaction mixture was insoluble potassium carbonate, evaporated to dryness, adding 50 ~ 100mL of chloroform, stirred and filtered to remove insolubles, evaporated to dryness, add 50 ~ 100mL of water to the solid and 15 ~ 45mL HCl (1mol/L) stirred and filtered to remove insolubles. NaOH was added to the filtrate. The solids were precipitated and filtered. The solids were washed with water and dried in vacuo at 50C to give 3-(2,4,6-tris(dimethylamino). Methyl)-phenoxy)phthalonitrile, yield 64%.

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

Reference:
Patent; Fuzhou University; Huang Jiandong; Peng Xiaohui; Zheng Bingde; (25 pag.)CN107915740; (2018); 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. 16588-02-6, name is 2-Chloro-5-nitrobenzonitrile, A new synthetic method of this compound is introduced below., Recommanded Product: 16588-02-6

3-Cyano-4-chloroaniline. 2-Chloro-5-nitrobenzonitrile (25 g, 137 mmol) was dissolved in ethanol (275 mL). Stannous chloride dihydrate (154.5 g, 0.685 M) was added and the mixture stirred at 70 C. for 30 min. The mixture was then cooled to room temperature and poured into crushed ice. The mixture was made basic with solid sodium hydroxide. This mixture was extracted with ethyl acetate (3*100 mL). The extracts were combined, washed with brine, dried (MgSO4), concentrated and the residue dried under vacuum and recrystallized from ethanol to yield light brown needles (10.6 g, 51%).

The synthetic route of 16588-02-6 has been constantly updated, and we look forward to future research findings.

Reference:
Patent; Chapdelaine, Marc; Davenport, Timothy; Haeberlein, Markus; Horchler, Carey; McCauley, John; Pierson, Edward; Sohn, Daniel; US2004/87575; (2004); A1;,
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Synthetic Route of 1835-65-0, A common heterocyclic compound, 1835-65-0, name is 3,4,5,6-Tetrafluorophthalonitrile, molecular formula is C8F4N2, 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.

COMPARATIVE EXAMPLE 2Preparation of a Vanadyl Phthalocyanine CompoundlOg of 3,4,5,6-tetrafluorophthalonitrile, lOg ofthiophenol and 7 g of potassium fluoride were added to 3 neck flask equipped with a reflux apparatus, and then 30 ml of acetonitrile was added as a solvent, and the mixture was reacted withstirring for 12 hours at room temperature. Afier reaction was completed, 7 g of 2,6-dimethylphenol and 4 g of potassium fluoride were added to the reacting solution, and then refluxed for 8 hours. Afier reaction was completed, the solution was distilled with a vacuum distillet 20 g of crude reactantsobtained as above were added to 3 neck flask equipped with a reflux apparatus, and refluxed with 2 g of vanadium trichloride, 2 g of 1-octanol and 30 g of benzonitrile for 8 hours. Afier reaction was completed, the solution was distilled with a vacuum distiller to obtain a vanadyl (vanadium oxide) phthalocyaniene (VOPc: Oxo-Vanadium Phthalocyanine)30 based precursor compound VOPc(PhS)8{2,6-(CH3)2PhO}4F4. 10 g of the vanadyl phthalocyanine-based precursor compound and 50 ml of cyclohexylamine were added to 3 neck flask equipped with a reflux apparatus, and reacted for 8 hours at 60¡ã C. Afier reaction was completed, the reactingsolution was concentrated in vacuum to obtain a vanadyl phthalocyanine compound VOPc(PhS)8{2,6-(CH3)2PhO}4 (C5H11NH)4 (Ph=phenyl; in the formula 2 below, A2, A3, A5, A7, A10, A11, A14 and A15 are PhS; A1, A5, A9 and A13 are {2,6-(CH3)2PhO}; and A4, A8, A12 and A15 are C5H11NH)represented by the formula 2

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; SK CHEMICALS CO., LTD.; Kang, Ju-Sik; Park, Jeong-Ho; Chang, Yu-Mi; US9158048; (2015); B2;,
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Reference of 38487-86-4, These common heterocyclic compound, 38487-86-4, name is 2-Amino-4-chlorobenzonitrile, 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.

Add 2-amino-4-chlorobenzonitrile (152 mg, 1 mmol), benzyl alcohol (108 mg, 1 mmol),Fe (NO3) 3 ¡¤ 9H2O (40.4 mg, 0.10 mmol), TEMPO (15.6 mg, 0.10 mmol),t-BuOK (224mg, 2equiv) and 2mL of toluene were sequentially added to a 25mL reaction tube, and the reaction mixture was reacted under reflux for 12h and cooled to room temperature;Ethyl acetate was added to dilute the reaction solution, and then washed three times with water, and then the organic phase was separated.After drying over anhydrous magnesium sulfate, the solvent was removed by rotary evaporation under reduced pressure to obtain a crude product;The crude product was purified by column chromatography with petroleum ether / ethyl acetate, yielding 78%.

The synthetic route of 38487-86-4 has been constantly updated, and we look forward to future research findings.

Reference:
Patent; Nanjing University of Science and Technology; Li Bindong; Hu Yongke; (12 pag.)CN110357823; (2019); A;,
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