Category: nitriles-buliding-blocks

Related Products of 194853-86-6, The chemical industry reduces the impact on the environment during synthesis 194853-86-6, name is 4-Fluoro-2-(trifluoromethyl)benzonitrile, I believe this compound will play a more active role in future production and life.

D. 4-Fluoro-3-iodo-2-(trifluoromethyl)benzonitrile To a freshly prepared solution of LDA (1 19 mmol) in anhyd THF (250 mL) at -45C is added a solution of commercially available 4-fluoro-2-(trifluoromethyl)benzonitrile (21 .5 g, 1 14 mmol) in THF (30 mL), dropwise at a rate such that the internal temperature remained < -40C (became dark brown during addition). The mixture is stirred 30 min at -45C, cooled to -70C and iodine (31 .7 g, 125 mmol) is added in one portion (-70C? - 52C). The mixture is stirred for 1 h, removed from the cooling bath and quenched by addition of 10% Na2S203 (ca. 250 mL) and 1 N HCI (ca. 125 mL). The mixture is extracted with EtOAc (x3). Combined organics are washed (water, brine), dried over Na2S04 and concentrated in vacuo. The residue is purified by low pressure liquid chromatography (silica gel, EtOAc / hexanes, gradient elution) followed by recrystallization from heptane (30 mL), twice, affording 4-fluoro-3-iodo-2- (trifluoromethyl)benzonitrile (15.79 g, 50.1 mmol, 44.1 % yield) as a pale yellow solid. 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-Fluoro-2-(trifluoromethyl)benzonitrile, other downstream synthetic routes, hurry up and to see. Reference:
Patent; GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED; KALDOR, Istvan; TANG, Dalin; WO2015/110958; (2015); A1;,
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Adding a certain compound to certain chemical reactions, such as: 79463-77-7, name is Diphenyl N-cyanocarbonimidate, 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 79463-77-7, category: nitriles-buliding-blocks

[00606] 147A. l-(3-Chloro-2-fiuorophenyl)-N-[(10R,14S)-5-{[(lZ)- (cyanoimino)(phenoxy)methyl] amino } – 10-methyl-9-oxo-8 , 16- diazatricyclo[13.3.1.02’7]nonadeca-l(19),2(7),3,5,15,17-hexaen-14-yl]-5-methyl-lH- l,2,3-triazole-4-carboxamide: A mixture of Example 89 (Alternative, HC1 salt) (10 mg, 0.016 mmol), pyridine (10.42 mu?, 0.129 mmol) and diphenyl cyanocarbonimidate (7.67 mg, 0.032 mmol) in 2-propanol (0.15 mL) was stirred in a pressure-tested vial at room temperature for 2 h. The reaction mixture was concentrated to give the product (11 mg, 99%) as an oily solid. MS(ESI) m/z: 692 (M+H)+.

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

Reference:
Patent; BRISTOL-MYERS SQUIBB COMPANY; PINTO, Donald J.; CORTE, James R.; GILLIGAN, Paul J.; FANG, Tianan; SMITH II, Leon M.; WANG, Yufeng; YANG, Wu; EWING, William R.; WO2013/22818; (2013); A1;,
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Electric Literature of 1129-35-7,Some common heterocyclic compound, 1129-35-7, name is Methyl 4-cyanobenzoate, molecular formula is C9H7NO2, 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.

A mixture OF METHYL-4-CYANOBENZOATE (5.0 g, 0. 031 MOL) and diethyl dithiophosphate (11.5 g, 0.062 mol) in water (100 mL) was stirred overnight at 80C under a nitrogen atmosphere. The reaction mixture was allowed to cool to ambient temperatures and the solid was filtered and washed with water (100 mL). The solid was then dried in vacuo at 40C to give the crude product (4.74 g, 78%).

These compound has a wide range of applications. It is believed that with the continuous development of the source of the synthetic route Methyl 4-cyanobenzoate, its application will become more common.

Reference:
Patent; APPLIED RESEARCH SYSTEMS ARS HOLDING N.V.; WO2005/11685; (2005); A1;,
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Related Products of 53312-81-5, 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. 53312-81-5, name is 5-Amino-2-fluorobenzonitrile belongs to nitriles-buliding-blocks compound, it is a common compound, a new synthetic route is introduced below.

Intermediate 9: 5- 5-(Benzyloxy)pyrimidin-2-ylamino]-2-fluoro-benzonitrileA suspension of 2-chloro-5-benzyloxypyrimidine (2.0g, 9.074mmol), 5-amino-2- fluorobenzonitrile (1.24g, 9.074mmol), in’5,(dibenzylideneacetone)palladium(0) (415 mg, 0.45mmol), 4,5-bi5,(diphenylphosphino)-9,9-dimethylxanthene (525 mg, 0.90 mol) and cesium carbonate (5.9g, 18.1mmol) in de-gassed 1,4-dioxane (15mL) was heated at 80 C for 2 days. The reaction mixture was diluted with dichloromethane and washed with water and brine. The organic phase was dried (MgS04) and the solvent removed under reduced pressure. The crude product was purified by flash chromatography, using 0-5% ethyl acetate:hexane as eluent, to give 5- [5- (benzyloxy)pyrimidin-2-ylamino]-2-fluoro-benzonitrile (2.88g) as yellow solid.Mass: (ES+) 321(M+H)+

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, 5-Amino-2-fluorobenzonitrile, other downstream synthetic routes, hurry up and to see.

Reference:
Patent; SENEXIS LIMITED; HORWELL, David; SCOPES, David; WO2011/144577; (2011); A1;,
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Related Products of 51762-67-5, 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. 51762-67-5, name is 3-Nitrophthalonitrile, This compound has unique chemical properties. The synthetic route is as follows.

A mixture of compound 1 (1.73 g, 7.29 mol) and 3-nitrophthalonitrile (1.26 g, 7.28 mol) in DMSO (30 mL) was stirred at room temperature for 10 min, and K2CO3 (2.52 g, 1.82 mol) was added with further stirring for 24 h. The reaction mixture was poured into 200 mL ice-water to give a great deal of yellow precipitate, which was collected by filtration and then washed with water. After dryness in vacuo, the product was obtained as a yellow solid (2.04 g, 94%). 1 H NMR (400 MHz, acetone-d6, ppm): d 7.85 (t, J 8.2 Hz, 1 H), 7.75 (d, J 7.6 Hz, 1 H), 7.40 (d, J 8.2 Hz, 2 H), 7.26 (d, J 8.7 Hz, 1 H), 7.19 (d, J 8.2 Hz, 2 H), 3.34 (t, J 7.0 Hz, 2 H), 2.86 (t, J 7.2 Hz), 1.40 (s, 9 H). MS (ESI): m/z 386.12 [M Na].

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

Reference:
Article; Peng, Xiao-Hui; Chen, Shao-Fang; Zheng, Bi-Yuan; Zheng, Bing-De; Zheng, Qiao-Feng; Li, Xing-Shu; Ke, Mei-Rong; Huang, Jian-Dong; Tetrahedron; vol. 73; 4; (2017); p. 378 – 384;,
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Related Products of 50594-78-0, 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. 50594-78-0, name is 5-Fluoro-2-nitrobenzonitrile belongs to nitriles-buliding-blocks compound, it is a common compound, a new synthetic route is introduced below.

A mixture of methyl 5-hydroxy-2-[(4-methylphenyl)sulfonyl]aminobenzoate (252 mg, 0.785 mmol), 4-fluoro-2-cyanonitrobenzene (137 mg, 0.825 mmol), and potassium carbonate (271 mg, 1.96 mmol) in DMF (5 mL) was stirred at 80 C. for 2.5 hours. The reaction was diluted with EtOAc (40 mL) and washed with aq. 0.5 N KHSO4 (1¡Á40 mL) and aq. saturated NaHCO3 (1¡Á40 mL). The water layers were extracted once more with EtOAc (40 mL). The combined EtOAc-layers were dried (Na2SO4), filtered, and evaporated to dryness in vacuo. The crude product was purified by flash column chromatography (EtOAc/heptane: 1/3 to 1/1) to obtain the desired product as yellow solid (292 mg, 79%, purity (LC)=85%).MS: [M-H]-=466

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

Reference:
Patent; Dams, Gery Karel Julia; Vereycken, Inge; Van Acker, Koenraad Lodewijk August; Gustin, Emmanuel Marie Paul Ernest; Verschueren, Wim Gaston; Ohagen, Asa Catrine; US2010/280268; (2010); A1;,
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Application of 7357-70-2, A common heterocyclic compound, 7357-70-2, name is 2-Cyanothioacetamide, molecular formula is C3H4N2S, 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.

10 g (58.74 mmol) of 2-(di(methylthio))methylidenemalononitrile and 7.1 g (70.48 mmol) of cyanothioacetamide were initially charged in 21 ml of DMF, and 16.4 ml (117.47 mmol) of triethylamine were added dropwise at room temperature. The mixture was stirred at room temperature for 8 h. The reaction mixture was added to 300 ml of 3N hydrochloric acid. The resulting precipitate was filtered off with suction, washed with water and dried. This gave the product as a powder.Yield: 12.2 g (89% of theory, 96% pure)1H-NMR (400 MHz, CDCl3): delta=3.98 (s, 1H), 2.72 (s, 3H).LC-MS (Method 7): Rt=1.56 min; MS (ESIpos): m/z=223 [M+H]+.

The synthetic route of 7357-70-2 has been constantly updated, and we look forward to future research findings.

Reference:
Patent; Nell, Peter; Vakalopoulos, Alexandros; Suessmeier, Frank; Albrecht-Kuepper, Barbara; Zimmermann, Katja; Keldenich, Joerg; Meibom, Daniel; US2011/3845; (2011); A1;,
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Related Products of 87376-25-8, The chemical industry reduces the impact on the environment during synthesis 87376-25-8, name is 2-Amino-4-nitrobenzonitrile, I believe this compound will play a more active role in future production and life.

Step 1. 2-(Ethoxycarbonylamino)-4-nitrobenzonitrile The title compound was prepared according to the procedure described in step 1 of Example 1 (Method B) from 2-amino-4-nitrobenzonitrile. tlc: Rf=0.45 (33% ethyl acetate in hexanes)

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

Reference:
Patent; Pfizer Inc.; US6300363; (2001); B1;,
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2042-37-7, name is 2-Bromobenzonitrile, 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. Product Details of 2042-37-7

General procedure: Phenylboronic acid (1.5mmol), aryl chloride (1.0mmol), K2CO3 (2.0mmol), PEPPSI-type palladium-NHC catalyst (0.01mmol, 1mol%) (2a-f) and mixture of isopropanol/water (1:3; v/v) (4mL) were added to a small round bottom flask in air. The mixture was stirred at 50C for 2h. At the end of the reaction, the cooled solution to room temperature was extracted with a mixture of EtOAc/n-hexane (1:5, v/v). The organic phase was separated and dried over anhydrous MgSO4, the solution passed through the micro silica gel column was concentrated. Product characterizations were performed by GC. The reaction yields were determined by GC based on aryl chloride.

The synthetic route of 2042-37-7 has been constantly updated, and we look forward to future research findings.

Reference:
Article; Kalo?lu, Nazan; Oezdemir, ?smail; Tetrahedron; vol. 75; 15; (2019); p. 2306 – 2313;,
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Reference of 77326-36-4, 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. 77326-36-4, name is 2-Amino-6-fluorobenzonitrile belongs to nitriles-buliding-blocks compound, it is a common compound, a new synthetic route is introduced below.

2-amino-6-isobutoxybenzonitrile Sodium hydride (60% suspension in oil, 25.0 g, 0.625 mol) was suspended in anhydrous THF (1000 mL) under nitrogen and heated to an internal temperature of 40 C. to 45 C. 2-methylpropan-1-ol (61.2 mL, 0.661 mol) was then added slowly and portionwise. The mixture was heated at 40 C. to 45 C. for 1 hour, then cooled to 35 C. 2-amino-6-fluorobenzo-nitrile (50.0 g, 0.367 mol) was added and refluxed for 21 hours. The mixture was cooled to r.t., then ice (250 g), ice water (750 mL), and hexanes (1000 mL) was added. Insoluble solids were filtered out and the organic layer was separated. The aqueous layer was extracted once more with a mixture of diethyl ether (250 mL) and hexanes (250 mL). The combined organic layer was washed twice with a solution of citric acid (53 g) in water (500 mL), then washed with 80% brine (300 mL), then dried with magnesium sulfate, filtered and concentrated under reduced pressure. The residue was dissolved in methanol (500 mL), and the immiscible oil carried through from the sodium hydride suspension was separated off in a separatory funnel. The solvent was evaporated under vacuum, and the residue was washed with hexanes (250 mL), after which the product 2-amino-6-isobutoxybenzonitrile was obtained as a viscous oil (46 grams, yield: 66%). 1H NMR (400 MHz, DMSO-d6) delta 7.16 (t, J=8.0 Hz, 1H), 6.33 (d, J=8.0 Hz, 1H), 6.17 (d, J=8.0 Hz, 1H), 5.97 (s, 2H), 3.75 (d, J=7.2 Hz, 2H), 2.00 (m, 1H), 0.97 (d, J=6.8 Hz, 6H) ppm. MS 191 (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-Amino-6-fluorobenzonitrile, other downstream synthetic routes, hurry up and to see.

Reference:
Patent; SENOMYX, INC.; Tachdjian, Catherine; Karanewsky, Donald; Tang, Xiao Qing; Liu, Hanghui; US2015/245642; (2015); A1;,
Nitrile – Wikipedia,
Nitriles – Chemistry LibreTexts