Category: nitriles-buliding-blocks

Application of 21524-39-0,Some common heterocyclic compound, 21524-39-0, name is 2,3-Difluorobenzonitrile, molecular formula is C7H3F2N, 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: An oven-dried round bottomed flask (50 mL capacity) equipped with a magnetic stir bar was evacuated and purged with argon. 2-Aminopyridine (1 mmol, 1 euiv), 2-fluorobenzonitrile (1.2 mmol, 1.2 euiv), KtOBu (4 mmol, 4 euiv) and DMSO (5 mL) were added successivelyat room temperature and the reaction mixture was allowed to stir at room temperature for 12 h. Water (10 mL) was added to the reaction mixture and the organic layer was extracted with ethyl acetate (2×20 mL). The combined organic phases were washed with brine and dried over sodium sulfate. The solvent was removed and the residue was purified by column chromatography on silica gel using hexanes/ethyl acetate as an eluent.

These compound has a wide range of applications. It is believed that with the continuous development of the source of the synthetic route 2,3-Difluorobenzonitrile, its application will become more common.

Reference of 6393-40-4,Some common heterocyclic compound, 6393-40-4, name is 4-Amino-3-nitrobenzonitrile, molecular formula is C7H5N3O2, 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. Synthesis of 3,4-Diaminobenzonitrile[0082] A solution of 4-amino-3-nitrobenzonitrile (1) (3.0 g) in ethanol (80 mL) was sparged for 5 minutes with nitrogen. Palladium on carbon (10%, 300 mg) was added and the mixture was saturated with hydrogen. The mixture was stirred under a hydrogen balloon for seven hours. The mixture was sparged with nitrogen and filtered through celite. The filtrate was concentrated in vacuo to provide the title compound, 3,4- diaminobenzonitrile (2).

These compound has a wide range of applications. It is believed that with the continuous development of the source of the synthetic route 4-Amino-3-nitrobenzonitrile, its application will become more common.

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. 613-46-7, name is 2-Naphthonitrile, A new synthetic method of this compound is introduced below., Safety of 2-Naphthonitrile

General procedure: Catalyst 1 (10 mol%) and HBpin (0.44 mmol) were added to aSchlenk flask inside the glove box, followed by the addition oforganic nitriles (0.2 mmol). The reaction mixture was heatedcontinuously at 65 C under neat condition or under toluene for astipulated time, as mentioned in Table 2. Toluene was then added,and the reaction mixture was filtered through a short plug of Celiteand evaporated under reduced pressure to obtain a solid residue.The diboryl amines are moisture- and air-sensitive, and henceexperimental procedures were conducted and NMR samples wereprepared inside the glove box. All products were characterizedusing multi-nuclear NMR spectroscopy, and details are given in thesupporting information.

The synthetic route of 613-46-7 has been constantly updated, and we look forward to future research findings.

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. 22433-89-2, name is 4-Bromoisophthalonitrile, A new synthetic method of this compound is introduced below., Product Details of 22433-89-2

Step b. To a stirred solution of tert-butyl 6-(acetamidomethyl)-4-(4,4,5,5-tetramethyl-l,3,2- dioxaborolan-2-yl)isoindoline-2-carboxylate (1.000 g, 2.415 mmol) in 1,4-dioxane: water (9: 1, 4.4 ml) were added K2C03 (0.330 g, 2.40 mmol) and 4-bromoisophthalonitrile (CAS Number 22433-89-2; 0.250 g, 1.208 mmol) at rt. The reaction mixture was degassed for 20 min before addition of PdCl2(dppf) (0.080 g, 0.120 mmol). The resulting reaction mixture was heated at 85C for 4 h. The reaction mixture was cooled to rt, poured into water (100 ml) and extracted with EtOAc (3 x 100 ml). The combined organic phase dried over Na2S04, filtered and concentrated under reduced pressure. The residue was purified by flash column chromatography (70% EtOAc in hexane) yielding tert-butyl 6-(acetamidomethyl)-4-(2,4-dicyanophenyl)isoindoline-2-carboxylate (0.120 g, 0.288 mmol). LCMS: Method A, 1.853 min, MS: ES+ 361.58 [M-56].

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.

These common heterocyclic compound, 621-50-1, name is 2-(3-Nitrophenyl)acetonitrile, 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. category: nitriles-buliding-blocks

[0308] To the mixture of solution of 3-nitrophenylacetonitrile (16.2g, 0. lmol) and ion powder (56g, lmol) in ethanol (160ml) and water (40ml), added hydrochloride (25ml, 6N), heated to reflux for 4 hours. Filtered through celite, concentrated, extracted with EtOAc, washed with water and brine, dried over sodium sulfate.Removed solvent, got crude product as oil.

The synthetic route of 2-(3-Nitrophenyl)acetonitrile has been constantly updated, and we look forward to future research findings.

Synthetic Route of 10137-67-4,Some common heterocyclic compound, 10137-67-4, name is Ethyl 3-cyanopropanoate, molecular formula is C6H9NO2, 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: To a suspension of Zn powder (196 mg, 3 mmol) in THF (5 mL) weresuccessively added the appropriate nitrile (1 mmol), pure or dissolvedin a minimum amount of THF, and allyl bromide (0.26 mL, 3 mmol). The solution was heated rapidly to reflux and cooled down to rt after 10-15 min. Aq 1 M HCl (5 mL) was added and the aqueous layer was extracted with EtOAc (2 × 5 mL). The combined organic layers weresuccessively washed with aq 2 M NaOH and brine, dried (anhydMgSO4), and filtered. The solvents were removed in vacuo to affordthe crude product, which was purified by flash chromatography onsilica gel, only when required.

These compound has a wide range of applications. It is believed that with the continuous development of the source of the synthetic route Ethyl 3-cyanopropanoate, its application will become more common.

Reference of 77532-79-7,Some common heterocyclic compound, 77532-79-7, name is 5-Fluoro-2-methylbenzonitrile, molecular formula is C8H6FN, 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 nitromethane (0.1 mL) solution of 5-fluoro-2-methylbenzonitrile (1k) (30 mg, 0.222 mmol) wereadded H2O (1.0 mL), DBU (68 mg, 0.444 mmol), copper (I) iodide (8.5 mg, 0.0444 mmol), cesium(I) carbonate (36 mg, 0.111 mmol) at room temperature. The reaction mixture was heated at 100 Cfor 3 h and then poured into water (50 mL). The organic layer was separated and the aqueous layerwas extracted with AcOEt. The combined organic layer was dried over MgSO4. The solvent wasremoved under reduced pressure. The residue was purified by preparative TLC on silica gel elutingwith AcOEt-n-hexane (1:1) to give 5-fluoro-2-methylbenzamide (2k) (20 mg, 59%) as pale yellowpowders.mp 117-119 C,

The synthetic route of 77532-79-7 has been constantly updated, and we look forward to future research findings.

Synthetic Route of 6629-04-5,Some common heterocyclic compound, 6629-04-5, name is N-Cyanoacetylurethane, molecular formula is C6H8N2O3, 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.

According to Scheme 5 Step 1: To a suspension of nitoaniline (5 g, 36.2 mmol) in concentrated HCl (9 mL) and water (50 mL) at 0 C. was added dropwise over 30 minutes a solution of sodium nitrite (5 g, 72.4 mmol in 200 mL water) the crude orange suspension was filtered at 0 C. and the obtained diazonium salt was added portionwise over 1 hour under vigorous stirring to a suspension of ethyl 2-cyanoacetate (6.22 g, 39.8 mmol) and sodium acetate (21.0 g, 257 mmol) in ethanol (200 mL). The reaction mixture was allowed to rest at 0 C. for 1 h. The mixture was filtered, washed with water then cooled ethanol and dried to afford (Z)-2-cyano-2-(2-(3-nitrophenyl)hydrazono)acetylcarbamate 9(A) (11.0 g, 100%, 75% of purity) as an orange solid. The crude solid was used in the next step without further purification.Rf=0.32 CH2Cl2/MeOH (95/5)LC1: Rt=3.65MS m/z (ES) [M+H]+=306

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

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. 60702-69-4, name is 2-Chloro-4-fluorobenzonitrile, This compound has unique chemical properties. The synthetic route is as follows., Application In Synthesis of 2-Chloro-4-fluorobenzonitrile

Reference Example 112 N-(3-chloro-4-cyanophenyl)-4-fluorophenylalanine To a solution of 2-chloro-4-fluorobenzonitrile (1.8 g) in dimethyl sulfoxide (30 mL) were added 4-fluorophenylalanine (2.54 g) and cesium carbonate (4.90 g), and the mixture was stirred at 90 C. overnight. After allowing to room temperature, ethyl acetate was added, and the mixture was extracted twice with saturated aqueous sodium hydrogen carbonate solution. The aqueous layers were combined, and acidified with citric acid, and the mixture was extracted twice with ethyl acetate. The organic layers were combined, washed with saturated brine, and dried over magnesium sulfate. The solvent was evaporated under reduced pressure to give the title compound as a brown oil (yield: 3.69 g, 100%). 1H-NMR(CDCl3)delta:3.07-3.30(2H,m), 4.40(1H,q,J=5.9 Hz), 4.72(1H,d,J=6.6 Hz), 6.46(1H,dd,J=8.7,2.3 Hz), 6.60(1H,d,J=2.3 Hz), 6.94-7.05(2H,m), 7.07-7.16(2H,m), 7.41(1H,d,J=8.7 Hz).

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 60702-69-4.

Synthetic Route of 5414-21-1, 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. 5414-21-1, name is 5-Bromovaleronitrile belongs to nitriles-buliding-blocks compound, it is a common compound, a new synthetic route is introduced below.

[0526] To a stirred solution of [1-(2-(trimethylsilyl)ethoxymethyl)-(1H-benzimidazol-2-ylmethyl)]-(5,6,7,8-tetrahydro-quinolin-8-yl)-amine (188 mg, 0.455 mmol) and diisopropylethyl amine (0.26 ml<1.49 mmol) in CH3CN was added 5-bromovaleronitrile (0.12 mL, 1.03 mmol). The mixture was heated at 80 C. for 47 hours, after which time the reaction was cooled to room temperature. After removal of volatiles under reduced pressure, the residue was dissolved in CH2Cl2 (20 mL). The solution was washed with brine (3×15 mL). The aqueous phase was extracted with CH2Cl2 (1×15 mL). The combined organic phases were dried (Na2SO4), filtered and concentrated under reduced pressure to give a crude orange oil (306 mg). Purification of this oil by column chromatography (1.75 cm OD, 14 g silica, 40:1 CH2Cl2: CH3OH) afforded the purified tertiary amine (110 mg, 50%). [0527] The amine from above (110 mg) was dissolved in ammonia saturated CH3OH(12 mL) and treated with Raney-Nickel (410 mg). The mixture was shaken on a Parr hydrogenator at 50 psi H2 for 20 hours, after which time the mixture was filtered through celite and concentrated to give a crude yellow-orange oil (124 mg). [0528] The amine from above (124 mg) was dissolved in 4N HCl (2 mL) and heated to 50 C. for 6 hours. The mixture was then cooled to room temperature and basified with 10N NaOH (final pH>13). This aqueous phase was extracted with CH2Cl2 (4×10 mL). The organic phase was then dried (Na2SO4), filtered and concentrated to give a crude brown foam (83 mg). Purification of this foam by radial chromatography on silica gel (40:1:1 CH2Cl2: CH3OH: NH4-OH) afforded the pure freebase (38 mg, 46% over two steps). [0529] Using the General Procedure D: Conversion of the freebase from above (38 mg) to the hydrobromide salt gave COMPOUND 50 as a white solid (53 mg, 76%). 1H NMR (D2O) delta 1.14-1.28 (m, 2H), 1.39-1.57 (m, 4H), 1.77-1.90 (m, 1H), 1.96-2.10 (m, 1H), 2.13-2.23 (m, 1H), 2.31-241 (m, 1H), 2.46-2.57 (m, 1H), 2.73-2.90 (m, 3H), 2.96-3.03 (m, 2H), 4.38 (d, 1H, J=16.7 Hz), 4.47-4.57 (m, 2H), 7.60 (dd, 2H, J 6.3, 3.3 Hz), 7.80 (dd, 2H, J=6.2, 3.1 Hz), 7.86 (dd, 11H, J=7.9, 6.0 Hz), 8.31 (d, 1H, J=7.0 Hz), 8.62 (d, 1H, J=4.7 Hz). 13C NMR (D2O) delta 20.40, 23.88, 26.92, 27.63, 27.87, 39.68, 48.51, 52.09, 60.86, 114.26 (2 carbons), 125.85, 126.83 (2 carbons), 131.17, 139.29, 140.47, 147.92 (2 carbons), 151.48, 152.00. ES-MS m/z 364 (M+H) Anal Calc. for C22H29N5 3.1HBr 2.6H2O: C, 39.97; H, 5.69; N, 10.59; Br, 37.46. Found: C, 39.96; H, 5.64; N, 10.62; Br, 37.36.

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