Tag: M.W=100-200

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. 1000339-52-5, name is 3-Fluoro-2-nitrobenzonitrile, This compound has unique chemical properties. The synthetic route is as follows., SDS of cas: 1000339-52-5

Synthesis of 2-nitro-3-(phenylamino)benzonitrile Aniline (2.75 mL, 30.1 mmol) was added into THF (60 mL). Sodium hydride (0.867 g, 36.1 mmol) was added and stirred for 1 hour. 3-Fluoro-2-nitrobenzonitrile (5 g, 30.1 mmol) was added and stirred for about 16 hours at room temperature. Water (2 mL) was added to quench the unreacted sodium hydride. The solvent was then evaporated and the residue was then purified by column chromatography using THF:hexane (1:4, v/v) as the eluent. 6.0 g (83% yield) of a red solid was obtained.

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 1000339-52-5.

Reference:
Patent; Universal Display Corporation; KWONG, Raymond; LAM, Sze Kui; LAM, Siu Tung; TSANG, Kit Yee; LEE, Chi Hang; SZIGETHY, Geza; (159 pag.)US2016/218303; (2016); A1;,
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Electric Literature of 127946-77-4, These common heterocyclic compound, 127946-77-4, name is 1-Amino-1-cyclopropanecarbonitrile hydrochloride, 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.

Step 5To a solution of 3-(morpholin-4-sulfonyl)-2(i?)-[2,2,2-trifluoro-l(5}-(4-fluorophenyl)- EPO ethylamino] -propionic acid (0.034 g, 0.082 mmol) and the HCl salt of 1-aminocyclopropane- carbonitrile (OmegaChem, 0.013 g, 0.107 mmol) in DMF (1 mL) at rt was added solid HATU (PacificChem, 0.041 g, 0.107 mmol) in one portion followed by DIPEA (Aldrich, 0.043 mL, 0.246 mmol) to produce a bright yellow, clear solution. After stirring at rt for 1 h, the reaction was diluted in EtOAc and quenched with 10% aqueous NaHCO3. Water was added to dissolve precipitated solids. The aqueous layer was separated and extracted with EtOAc. The combined organics were washed with brine and dried over anhydrous Na2SO4. Following concentration in vacuo, the crude product was purified by column chromatography on SiO2 (2/1 EtOAc/Hex). Following concentration in vacuo, 0.020 g (51%) of N-(l-cyanocyclopropyl)-3-(morpholin-4- sulfonyl)-2(R)-[2,2,2-trifluoro- 1 (5)-(4-fluorophenyl)ethylamino]propionamide was obtained as?a white foamy solid with repeated concentration from CH2Cl2. LC/MS: 501.4 (M+Nua)+; 479.3 (M+H)+; 477.2 (M-H)”.

The synthetic route of 127946-77-4 has been constantly updated, and we look forward to future research findings.

Reference:
Patent; AXYS PHARMACEUTICALS, INC.; WO2006/60810; (2006); A1;,
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Reference of 1187-42-4,Some common heterocyclic compound, 1187-42-4, name is Diaminomaleonitrile, molecular formula is C4H4N4, 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: AlCl3 (15 molpercent) was added to a solution of DAMN (1 mmol), ketone (1 mmol) and isocyanide (1 mmol), in 5 ml of CH3CN. The resulting mixture was stirred for an appropriate time at room temperature. After completion of the reaction, as indicated by thin-layer chromatography (TLC; ethyl acetate=n-hexane 3=1), the product was precipitated by addition of 10 ml of water. The precipitate was filtered off, washed with water, and then recrystallized from acetone. In the case of aromatic aldehyde, precipitate after filtration was loaded on column chromatography with 20percent ethyl acetate?hexane as an eluent system to furnish the product.

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

Reference:
Article; Bhosale, Shrikar M.; Naik, Nilesh H.; Kusurkar, Radhika S.; Synthetic Communications; vol. 43; 23; (2013); p. 3163 – 3169;,
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These common heterocyclic compound, 40497-11-8, name is Ethyl 2,3-dicyanopropanoate, 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. Computed Properties of C7H8N2O2

Add 0.01 mol of 3-fluoroaniline and a small amount of ethanol to a 250 mL round bottom three-necked flask.Under ice bath, 3.0 mL (0.035 mol) of concentrated hydrochloric acid was added dropwise with stirring.Dissolve 0.018 mol of sodium nitrite in 10 mL of water.Slowly drip into the flask, and after the completion of the dropwise addition, the reaction was carried out for 0.5 h to obtain a yellow diazonium salt solution.Add 0.01 mol of ethyl 2,3-dicyanopropionate to a three-necked flask.The prepared diazonium salt solution was dropped into the flask, and the reaction was added dropwise for 2 hours.Ammonia water was added, the pH was adjusted to 9-10, and the reaction was carried out for 2 h at room temperature.After the reaction was completed, it was extracted with 40 mL of dichloromethane, and the organic layer was washed with water (2¡Á30 mL).Wash with saturated sodium chloride solution (1¡Á40 mL), dry over anhydrous magnesium sulfate.The solvent was crystallized under reduced pressure to give the product 1.18 g,yield: 58.3%,

The synthetic route of Ethyl 2,3-dicyanopropanoate has been constantly updated, and we look forward to future research findings.

Reference:
Patent; Nanjing Tech University; Wan Rong; Chen Fuli; Han Zhenyu; Fu Xiaohuan; Jiang Peng; (17 pag.)CN108203450; (2018); A;,
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Application of 7357-70-2,Some common heterocyclic compound, 7357-70-2, name is 2-Cyanothioacetamide, molecular formula is C3H4N2S, 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.

Preparation 8 Synthesis of 2-cyano-3-oxo-thiobutyramide To a stirring solution of 2-cyano-thioacetamide, (1016 g, 9.84 mol) in pyridine (2.60 L), chilled to 0 C., add acetyl chloride over 2 hours (785 mL, 11.03 mol) keeping reaction temperature below 20 C. Warm to room temperature over 1 hour, add water (4 L) and stir until dissolution of all solids. Add an aqueous 12 M solution of hydrochloric acid (HCl, 250 mL) until acidic (pH=1) to give a red-brown precipitate. Stir for 1 hour at 0 C., filter, dry the collected solid under vacuum to give the title compound as an orange solid (926 g, 66%). A second crop can be harvested from the mother liquors by adding 12 M aqueous (500 mL) to give the title compound (353 g, 25%).

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

Reference:
Patent; Britton, Thomas Charles; Dehlinger, Veronique; Fivush, Adam Michael; Hollinshead, Sean Patrick; Vokits, Benjamin Paul; US2009/253750; (2009); A1;,
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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. 115279-57-7, name is 2-(4-Aminophenyl)-2-methylpropanenitrile, This compound has unique chemical properties. The synthetic route is as follows., Recommanded Product: 2-(4-Aminophenyl)-2-methylpropanenitrile

To a solution of compound 1 (4.3 g, 15 mmol) in acetic acid (100 mL) at 250C, was added 2-(4-aminophenyl)-2-methylpropanenitrile (2.4 g, 15 mmol). The reaction mixture was stirred at 250C for 30 mins. The reaction mixture was quenched with ice-water and the solid was filtered, washed with 10% cold aqueous NaHCtheta3 solution and cold water, and dried under vacuum to provide 14 (5.5 g, 89% ) as a yellowish solid. MS (m/z) (Nf +H): 411, 413; 1H-NMR (400Mz, DMSO-d, ppm) 10.13 (s, IH), 9.08 (s, IH), 8.72 (s, IH), 8.01 (d, IH, J=8.55Hz), 7.94 (d, IH, J=8.97Hz), 7.47 (d, 2H, J=8.55Hz), 7.14 (d, 2H, J=8.55Hz),1.68 (s, 6H).

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 115279-57-7.

Reference:
Patent; PROGENICS PHARMACEUTICALS, INC.; WO2009/155527; (2009); A2;,
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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. 4513-77-3, name is 2-Oxocyclohexanecarbonitrile, A new synthetic method of this compound is introduced below., Safety of 2-Oxocyclohexanecarbonitrile

To a solution of (2-methylphenyl) hydrazine hydrochloride (464 mg, 2.92 mmol) in ethanol (2 mL) was added 2-oxocyclohexanecarbonitrile (300 mg, 2.44 MMOL), and the mixture was heated to 60C and stirred for 16 h. The flask was then cooled to rt and the solvent was evaporated to give a solid. The crude residue of 2-(2-methylphenyl)-4, 5,6, 7- tetrahydro-2H-indazol-3-amine hydrochloride (449 mg, 70%) was used in the next step with no further purification. ES-MS m/z 228.2 (MH+) ; HPLC RT (min) 1.22.

The synthetic route of 4513-77-3 has been constantly updated, and we look forward to future research findings.

Reference:
Patent; BAYER PHARMACEUTICALS CORPORATION; WO2004/50650; (2004); A1;,
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Related Products of 52798-01-3,Some common heterocyclic compound, 52798-01-3, name is Methyl (4-cyanophenyl)acetate, molecular formula is C10H9NO2, 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 methyl 4-cyanobenzeneacetate (2.646 g, 15.1 mmol) and iodomethane (2.4 ml) in N,N-dimethylformamide (50 ml) was slowly added 60% oily sodium hydride (1.55 g, 38.8 mmol) under ice-cooling. The reaction mixture was stirred for 2 hours at room temperature. The reaction solution was slowly added to ice water, and extracted with ethyl acetate. The extracts were washed with a saturated aqueous solution of sodium chloride, dried, and concentrated under reduced pressure. The residue was subjected to a silica gel column chromatography (ethyl acetate/hexane 3:1) to give the title compound (2.996 g, yield 98%). 1H NMR (CDCl3) delta 1.59 (6H, s), 3.67 (3H, s), 7.42-7.47 (2H, m), 7.61-7.65 (2H, m).

The synthetic route of 52798-01-3 has been constantly updated, and we look forward to future research findings.

Reference:
Patent; Takeda Pharmaceutical Company Limited; EP1541576; (2005); A1;,
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Electric Literature of 60758-86-3, 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 60758-86-3 as follows.

The reaction flask was charged with 400 mL of tetrahydrofuran and 62.5 g (0.8 mol) of dimethylsulfoxide,Stirring down to 0 to 5 ,500 mL (0.8 mol) of 1.6 M n-butyllithium n-hexane solution at a temperature of 0 C to 5 C was added,Stirring reaction for 1.5 hours,179.0 g (0.55 mol) of tributyltin chloride and 88.6 g (0.5 mol) of 3-ethoxy-4-methoxybenzonitrile (formula III) in 450 mL of tetrahydrofuran were added,Stirring for 0.5 hours,The temperature was raised to 15 C to 20 C for 2 hours,1000 mL of purified water was added,The incubation was continued at 15 C to 20 C for 12 hours.Stop the reaction,The solid obtained in the reaction solution was filtered, washed with purified water,N-hexane, tetrahydrofuran 100mL each washing cake.Dried to afford 109.6 g of a white solid,The molar yield was 85.2%, HPLC purity was 98.1% and ee was 97.3%.

According to the analysis of related databases, 60758-86-3, the application of this compound in the production field has become more and more popular.

Reference:
Patent; Peking University Fangzheng Group Co., Ltd.; Chongqing Southwest Synthetic Pharmaceutical Co., Ltd.; Peking University Medical Treatment Industrial Group Co., Ltd.; Fu Biao; Wang Fenglin; Luo Li; (9 pag.)CN106866493; (2017); 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. 3215-64-3, name is 2-(2,6-Dichlorophenyl)acetonitrile, A new synthetic method of this compound is introduced below., Safety of 2-(2,6-Dichlorophenyl)acetonitrile

Example 9a Preparation of 2-(2,6-dichlorophenyl)-2-methylpropanenitrile To a 1 M solution of potassium tert-butoxide (403 mL, 403 mmol) at -66 C. (acetone/dry ice) was slowly added 2-(2,6-dichlorophenyl)acetonitrile (25.0 g, 134 mmol) in anhydrous THF (150 mL). The mixture was stirred at -66 C. for 20 minutes. Then, iodomethane (33.6 mL, 538 mmol) was added drop-wise over 25 minutes at -66 C. At this stage, it was exothermic and a large amount of light yellow precipitate was observed. The suspension was stirred at -60 C. for 30 minutes. The reaction mixture was quenched with 200 mL ice water, and extracted with ether (3*150 mL). The organics were combined, washed with 150 mL brine, dried over Na2SO4, and concentrated on a rotary evaporator. The crude product (30 g, yellow oil) was purified by column chromatography (ISCO, 330 g silica, 20% EtOAc in hexanes) to afford 2-(2,6-dichlorophenyl)-2-methylpropanenitrile (28.2 g, 132 mmol, 98% yield) as a light yellowish oil. 1H-NMR (CDCl3, 400 MHz) delta 7.35 (d, 2H, J=8.03 Hz), 7.16 (t, 1H, J=8.0 Hz), 2.09 (s, 6H); 13C-NMR (CDCl3, 126 MHz) delta 134.6, 133.8, 131.4, 129.0, 124.1, 38.6, 29.2; MS m/e 214.10 (M+H+); HPLC (XBridge 5mu C18 4.6*50 mm, 4 mL/min, Solvent A: 10% MeOH/water with 0.2% H3PO4, Solvent B: 90% MeOH/water with 0.2% H3PO4, gradient with 0-100% B over 4 minutes): 3.16 minutes.

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; BRISTOL-MYERS SQUIBB COMPANY; EXELIXIS PATENT COMPANY LLC; Busch, Brett B.; Stevens, JR., William C.; Kick, Ellen K.; Zhang, Haiying; Bollu, Venkataiah; Martin, Richard; Mohan, Raju; US2015/299136; (2015); A1;,
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