Category: nitriles-buliding-blocks

Reference of 76469-88-0,Some common heterocyclic compound, 76469-88-0, name is Methyl 4-(cyanomethyl)benzoate, 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-(cyanomethyl)benzoate (9.5 g, 54.2 mmol) in ethanol (100 mL), hydroxylamine hydrochloride (6.78 g, 98 mmol) and sodium bicarbonate (8.20 g, 98 mmol) were added. The resulting reaction mixture was stirred at 65 oC for 18 h. The reaction mixture was filtered and the filtrate was concentrated under reduced pressure to obtain methyl-4-(2-amino-2- (hydroxyimino)ethyl)benzoate (11.2 g, 53.8 mmol, 99 % yield).

The synthetic route of 76469-88-0 has been constantly updated, and we look forward to future research findings.

Synthetic Route of 4640-66-8,Some common heterocyclic compound, 4640-66-8, name is 4-Chlorophenacylcyanide, molecular formula is C9H6ClNO, 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: A microwave tube was charged with ketonitrile (2.0 mmol), methanol (1 mL), and hydrazine monohydrate (2.6 mmol) and subjected to microwave irradiation (100 W, 150 C) for 5 minutes. Volatiles were subsequently removed under reduced pressure. The residue was purified by either trituration with cold methanol or cyclohexane, or by using column chromatography to give the final product.

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

Adding a certain compound to certain chemical reactions, such as: 50670-64-9, name is 5-Amino-2-methylbenzonitrile, 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 50670-64-9, Product Details of 50670-64-9

General procedure: mixture of 4-chloroquinazolines derivatives 10a-10j(5 mmol) and substituted anilines (6 mmol) in isopropanol(45 mL) was stirred at reflux for 3 h. The reaction mixture wascooled to room temperature and the resultant precipitate was collectedby filtration. The solid was further dried in vacuum to givethe compounds a-j.

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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 218632-01-0 as follows. Computed Properties of C7H3FN2O2

To a stirred solution of 3-fluoro-4-nitrobenzonitrile (1 g, 6.02 mmol) in CH2Cl2 (5 mL) under an inert atmosphere was added potassium carbonate (1.66 g, 12.05 mmol) and cyclopropanamine (3.33 mL, 48.19 mmol) drop wise at room temperature. The reaction mixture was stirred at room temperature for 4 h. After consumption of starting material (by TLC), the reaction mixture was diluted with water (30 mL) and extracted with EtOAc (2*40 mL). The combined organic extracts were dried over anhydrous Na2SO4 and concentrated under reduced pressure to afford 3-(cyclopropylamino)-4-nitrobenzonitrile (900 mg, 4.43 mmol, 74%) as yellow solid. 1H NMR (400 MHz, CDCl3): delta 8.24 (d, J=8.7 Hz, 1H), 8.07 (br s, 1H), 7.64 (d, J=1.7 Hz, 1H), 6.93 (dd, J=8.7, 1.7 Hz, 1H), 2.62-2.57 (m, 1H), 1.03-0.97 (m, 2H), 0.72-0.67 (m, 2H). LC-MS: m/z 201.9 [M-H]+ at 3.25 RT (99.61% purity).

According to the analysis of related databases, 218632-01-0, the application of this compound in the production field has become more and more popular.

Adding a certain compound to certain chemical reactions, such as: 110882-60-5, name is 3-Fluoro-5-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 110882-60-5, Recommanded Product: 3-Fluoro-5-nitrobenzonitrile

Example 1 Step 2. To solution of 1.0 eq IB in dry Et2O (0.06 M) at 00C was added dropwise a solution of diisobutyllithiumaluminum hydride (1.1 eq, 1.0 M in hexanes) by syringe. The resulting solution was kept at 00C overnight. The reaction mixture was added to a mixture of ice and glacial acetic acid. The reaction mixture was then diluted with ethyl acetate, and the aqueous layer was extracted with ethyl acetate two additional times. The combined organic layers were washed twice with saturated sodium bicarbonate, and once with brine. The organic layers were then dried over sodium sulfate, filtered and concentrated in vacuo. Purification over silica gel using 10% EtOAc/hexanes as the eluant afforded a yellow solid (100%) as an 80:20 mixture of 1C:1B. Example 1 Step 3. To cooled (00C) slurry of an 80:20 mixture of 1C:1B (1.0 eq) and boc-piperazine(about 2 eq) in a mixture of HOAc and DCM (4.8 M boc-piperazine in 1:1.4 v/v HOAc/DCM) was added sodium triacetoxyborohydride as a solid over about 5 minutes. The reaction was allowed to warm to RT and stirred for two hours. The reaction mixture was quenched with saturated sodium bicarbonate and diluted with ethyl acetate. The layers were separated and the aqueous layer was washed three times with ethyl acetate. The organic layers were combined and washed with brine, dried over sodium sulfate, and concentrated in vacuo. Purification by chromatography over silica gel using 50% ethyl acetate/hexanes as the eluant provided ID (67.7%) as a yellow oil.

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Adding a certain compound to certain chemical reactions, such as: 33279-01-5, name is 3-Oxopentanenitrile, 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 33279-01-5, Formula: C5H7NO

A mixture of a portion (0.6 g) of the material so obtained, hydrazine hydrate (0.28 ml) and ethanol (45 ml) was heated at 700C for 12 hours. The solvent was evaporated and the residue was purified by column chromatography on silica using a 19:1 mixture of methylene chloride and methanol as eluent. There was thus obtained the required starting material in 51% yield; 1H NMR: (DMSOd6) 1.04 (t, 3H), 2.41 (q, 2H), 4.4 (br s, 2H).

At the same time, in my other blogs, there are other synthetic methods of this type of compound, 3-Oxopentanenitrile, and friends who are interested can also refer to it.

Some common heterocyclic compound, 60899-34-5, name is 1-Oxo-2,3-dihydro-1H-indene-4-carbonitrile, molecular formula is C10H7NO, 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. Application In Synthesis of 1-Oxo-2,3-dihydro-1H-indene-4-carbonitrile

To l-oxo-2,3-dihydro-7H-indene-4-carbonitrile INT-1 (42.5 g, 0.27 mol) and (i?)-2-methylpropane-2-sulfinamide (36.0 g, 0.30 mol) in toluene (530 mL) was added titanium tetraethoxide (84.1 mL, 92.5 g, 0.40 mol) and the reaction mixture was heated at 60C for 12 h under N2. The crude (i?)-N-(4-cyano-2,3-dihydro-lH- indene-l-ylidene)-2-methylpropane-2-sulfinamide INT-4 was used directly in the next experiment. LCMS-ESI (m/z) calculated for Ci4Hi6N2OS: 260.3; found 261.1 [M+H]+, = 3.19 min.

These compound has a wide range of applications. It is believed that with the continuous development of the source of the synthetic route 60899-34-5, 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. 5332-06-9, name is 4-Bromobutanenitrile, This compound has unique chemical properties. The synthetic route is as follows., category: nitriles-buliding-blocks

To a stirred solution of 7,8-dimethoxy-2,3,4,5-tetrahydro-1H-benzo[d]azepine20 (11) (1.36 g, 6.6 mmol) and 4-bromobutyronitrile (0.98 g, 6.6 mmol) in DMF (40 mL), NaI (1.00 g, 6.6 mmol) and K2CO3 (2.75 g, 19.9 mmol) were added and the mixture was stirred at 60 C overnight. The solvent was removed under reduced pressure and the residue was diluted with H2O (150 mL) and extracted with ethyl acetate (3 × 100 mL) to give 4-(7,8-dimethoxy-4,5-dihydro-1H-benzo[d]azepin-3(2H)-yl)butanenitrile (1.66 g, 92%) as a yellow oil. 1H NMR (CDCl3) d: 6.64 (s, 2H), 3.85 (s, 6H), 2.86-2.82 (m, 4H), 2.63-2.59 (m, 4H), 2.58 (t, J = 6.8 Hz, 2H), 2.47 (t, J = 6.8 Hz, 2H), 1.84 (tt, J = 6.9 Hz, 6.9 Hz, 2H). This material (1.58 g, 5.7 mmol) was used without further purification and dissolved in dry THF (20 mL) for the following reaction. A solution of LiAlH4 (0.65 g, 17.1 mmol) in dry THF (20 mL) was added dropwise at 0 C. The mixture was stirred at rt overnight under N2. The mixture was cooled to 0 C and quenched by adding H2O (1 mL), 10% aqueous NaOH (2 mL), and H2O (2.5 mL) successively. The inorganic salts were washed with EtOAc and filtered. The filtrate was evaporated under reduced pressure to give 12 (1.18 g, 75%) as yellow oil. 1H NMR (CDCl3) d: 6.64 (s, 2H), 3.85 (s, 6H), 2.87-2.83 (m, 4H), 2.72 (t, J = 6.9 Hz, 2H), 2.64-2.60 (m, 4H), 2.48 (t, J = 6.9 Hz, 2H), 1.57-1.45 (m, 4H).

According to the analysis of related databases, 5332-06-9, the application of this compound in the production field has become more and more popular.

Some common heterocyclic compound, 98730-77-9, name is 1-(Hydroxymethyl)cyclopropanecarbonitrile, molecular formula is C5H7NO, 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. Application In Synthesis of 1-(Hydroxymethyl)cyclopropanecarbonitrile

4-(3-(3-Fluoro-4-hydroxyphenyl)-4,4-dimethyl-5-oxo-2-thioxoimidazolidin-1-yl)-2-(trifluoromethyl)benzonitrile 1e (100 mg, 0.24 mmol) was placed in a reaction flask, followed by addition of 1-(hydroxymethyl)cyclopropanecarbonitrile 39a (28 mg, 0.28 mmol, prepared by a well known method described in Bioorganic and Medicinal Chemistry Letters, 2009, 19(6), 1797-1801), 1,1′-(azodicarbonyl)dipiperidine (95 mg, 0.38 mmol), 10 mL of methylbenzene, and tri-n-butylphosphine (76 mg, 0.38 mmol), successively. The reaction solution was warmed up to 50 C. and stirred for 12 hours. The reaction solution was concentrated under reduced pressure, and the resulting residue was purified by thin layer chromatography with elution system A to obtain the title compound 4-(3-(4-((1-cyanocyclopropyl)methoxy)-3-fluorophenyl)-4,4-dimethyl-5-oxo-2-thioxoimidazolidin-1-yl)-2-(trifluoromethyl)benzonitrile 39 (110 mg, yield 93.2%) as a white solid. MS m/z (ESI): 503.3 [M+1]; 1H NMR (400 MHz, CDCl3): delta 7.95-8.00 (m, 2H), 7.84 (d, 1H), 7.04-7.11 (m, 3H), 4.12 (s, 2H), 1.59 (s, 6H), 1.45 (t, 2H), 1.18 (t, 2H).

These compound has a wide range of applications. It is believed that with the continuous development of the source of the synthetic route 98730-77-9, its application will become more common.

Electric Literature of 31643-49-9, A common heterocyclic compound, 31643-49-9, name is 4-Nitrophthalonitrile, molecular formula is C8H3N3O2, 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.

Propargyl alcohol (0.26 mL, 4.33 mmol) was added into a stirred mixture of 4-nitrophthalonitrile (0.50 g, 2.89 mmol) and anhydrous potassium carbonate (3.19 g, 23.1 mmol) in DMSO (6 cm3) under an argon atmosphere at room temperature. The mixture was stirred at room temperature for three and a half hour under an argon atmosphere, and then distilled to remove DMSO under reduced pressure. Water (100 cm3) was added to the dried mixture, which was then extracted with DCM. The organic layer was dried over MgSO4, and then the solvent was evaporated under reduced pressure. The residue was purified by column chromatography on silica gel eluting with ethyl acetate/hexane to afford 3 as a solid (0.49 g, 85% chemical yield). 1H NMR (400 MHz, CDCl3) delta: 2.57 (t, J = 2.4 Hz, 1H), 4.75 (d, J = 2.4 Hz, 2H), 7.25 (dd, J = 8.8, J = 2.6 Hz, 1H), 7.31 (d, J = 2.6 Hz, 1H), 7.69 (d, J = 8.8 Hz, 1H). 13C NMR (100 MHz, CDCl3) delta: 56.6, 76.2, 77.8, 108.2, 115.2, 115.5, 117.4, 119.9, 120.2, 135.2, 160.5. Anal. Calc. for C, 72.52; H, 3.32; N, 15.38. Found: C, 71.94; H, 3.42; N, 15.48%.

The synthetic route of 31643-49-9 has been constantly updated, and we look forward to future research findings.