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[ CAS No. 15827-84-6 ]

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Chemical Structure| 15827-84-6
Chemical Structure| 15827-84-6
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Product Details of [ 15827-84-6 ]

CAS No. :15827-84-6 MDL No. :MFCD04035595
Formula : C6H5N3 Boiling Point : 350°C at 760 mmHg
Linear Structure Formula :- InChI Key :N/A
M.W :119.12 g/mol Pubchem ID :577016
Synonyms :

Safety of [ 15827-84-6 ]

Signal Word:Danger Class:8
Precautionary Statements:P270-P304+P340+P312-P362-P332+P313-P261-P271-P280-P264-P301+P312+P330-P305+P351+P338+P310-P501-P302+P352 UN#:3259
Hazard Statements:H302-H315-H318-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 15827-84-6 ]

  • Downstream synthetic route of [ 15827-84-6 ]

[ 15827-84-6 ] Synthesis Path-Downstream   1~22

  • 1
  • [ 15827-84-6 ]
  • [ 105-53-3 ]
  • [ 129395-52-4 ]
YieldReaction ConditionsOperation in experiment
40% With sodium ethanolate for 24h; Heating;
  • 2
  • (E/Z)-N-(2-Cyanovinyl)asparaginsaeuredinitril [ No CAS ]
  • [ 15827-84-6 ]
YieldReaction ConditionsOperation in experiment
31% With 4 A molecular sieve at 500℃;
31% With 4 A molecular sieve at 500℃; flash vaccum pyrolysis;
YieldReaction ConditionsOperation in experiment
4-Mercapto-pyrido<4.3-d>pyrimidin, ClCH2COOH (in sd. aq. Na2CO3, 20 min);
  • 4
  • ethyl 2-(6-morpholino-1H-benzo[d]imidazol-2-yl)acetate [ No CAS ]
  • [ 15827-84-6 ]
  • 4-amino-3-(6-morpholin-4-yl-1<i>H</i>-benzoimidazol-2-yl)-1<i>H</i>-[1,6]naphthyridin-2-one [ No CAS ]
YieldReaction ConditionsOperation in experiment
With lithium hexamethyldisilazane In tetrahydrofuran
  • 5
  • [ 402948-33-8 ]
  • [ 15827-84-6 ]
  • 4-amino-3-(5-morpholin-4-yl-1H-benzimidazol-2-yl)-1,6-naphthyridin-2(1H)-one [ No CAS ]
YieldReaction ConditionsOperation in experiment
With ammonium chloride In tetrahydrofuran 11 4-Amino-3-(5-morpholin-4-yl-1H-benzimidazol-2-yl)-1,6-naphthyridin-2(1H)-one Example 11 4-Amino-3-(5-morpholin-4-yl-1H-benzimidazol-2-yl)-1,6-naphthyridin-2(1H)-one LiHMDS (3.3 eq) was added to ethyl (5-morpholin-4-yl-1H-benzimidazol-2-yl)acetate (1.0 eq) and 4-aminopyridine-3-carbonitrile (see J. Chem. Soc. 1967, p1558-1564; 1.0 eq) in THF at 0° C. The reaction was stirred overnight. The resulting mixture was quenched with an aqueous saturated NH4Cl solution and extracted with EtOAc. The combined organic layers were washed with H2O and brine, dried over Na2SO4, filtered, and concentrated in vacuo to yield a brown solid. The crude material was washed successively with CH2Cl2 and MeOH, and then was purified by reverse phase HPLC to provide the desired product. LC/MS m/z 363.2 (MH+), Rt 1.55 minutes.
  • 6
  • [ 42373-30-8 ]
  • 3.5-Chloro-4-cyanopyridine [ No CAS ]
  • [ 15827-84-6 ]
YieldReaction ConditionsOperation in experiment
(a) 4-Amino-3-cyanopyridine This compound was prepared from <strong>[42373-30-8]4-amino-3-formylpyridine</strong> following the method of Preparation 2(b) to give the product as a white solid. MS (+EI) m/z 119 (M)+; 1H NMR (d6-DMSO) 8.38 (1H, s), 8.12 (1H, d), 7.02 (2H, s), 6.66 (1H, d).
  • 7
  • [ 676-58-4 ]
  • [ 15827-84-6 ]
  • [ 53277-43-3 ]
YieldReaction ConditionsOperation in experiment
With oxalic acid In tetrahydrofuran 1 1-(4-Amino-3-pyridinyl)ethanone EXAMPLE 1 1-(4-Amino-3-pyridinyl)ethanone To a solution of 17.72 g (4-amino-3-pyridyl)carbonitrile in 400 ml THF (tetrahydrofuran) at 0° C. was added dropwise 200 ml 3.0M methylmagnesium chloride in THF. After the addition was complete, the reaction mixture was allowed to come to room temperature and stirred twenty-four hours. The reaction was quenched with water. Saturated oxalic acid solution (350 ml) was added, and the mixture was then refluxed for one and a half hours. This mixture was made basic with dilute NaOH solution, and extracted with EtOAc. The extracts were washed with saturated NaCl solution, dried (MgSO4), and concentrated to yield 16.14 g solid. Purification of 1.5 g by flash chromatography and recrystallization from toluene yielded 0.71 g solid, m.p. 161°-163° C. ANALYSIS: Calculated for C7 H8 N2 O: 61.75% C; 5.92% H; 20.57% N. Found: 62.09% C; 5.83% H; 20.34% N.
  • 8
  • [ 23794-16-3 ]
  • [ 15827-84-6 ]
  • [ 1289555-46-9 ]
YieldReaction ConditionsOperation in experiment
Stage #1: 2-bromo-1-(2-chloropyridin-4-yl)ethan-1-one; 4-aminopyridine-3-carbonitrile In ethanol for 2h; Reflux; Stage #2: With sodium hydrogencarbonate In ethanol for 4h; Reflux; 1.3 6-Aminonicotinonitnle (2 g, 16.8 mmoi) and 2-bromo-1-(2-ch]oro-4-yl)-ethanone (3.9 g, 16.8 mmol) were refluxed in ethanol (100 ml) for 2h. Pale-yellow precipitate formed. NaHC03 (2 g) was added to the cooled reaction mixture and the mixture was refluxed for another 4h. After cooling, the precipitate was filtrated, washed with water and recrystalized from ethyl acetate to give the 2-(2-chloropyridin-4-yl)-6-cyano-imidazo[1 ,2-a]pyridine (1.7 g). 1 H NMR (300 MHz, D SO~cf6) δ: 8.70 (d, 1H) 8.30 (d, 1 H) 7.63 (s, 1 H) 7.35 (d, 1H) 7.29 (d, 1 H) 7.21 (dd, 1 H) 7.14 (dd, H) ; MS (ES) miz (M+H) 255.7
  • 9
  • 7-bromo-5-chloroquinoxaline [ No CAS ]
  • [ 15827-84-6 ]
  • 4-[(8-chloroquinoxalin-6-yl)amino]pyridine-3-carbonitrile [ No CAS ]
YieldReaction ConditionsOperation in experiment
39% With palladium diacetate; caesium carbonate; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl In 1,4-dioxane at 120℃; for 3h; Inert atmosphere; Sealed tube; 146 Example 146 4-[(8-chloroquinoxalin-6-yl)amino]pyridine-3-carbonitrile The title compound is prepared according to General Procedure 1 described in Example 1 , using 7-bromo-5-chloroquinoxaline (Intermediate 3, 100 mg; 0.40 mmol; 1 eq.), 4-aminopyridine-3-carbonitrile (65 mg; 0.52 mmol; 1.30 eq.), cesium carbonate (342 mg; 1.04 mmol; 2.60 eq.), BINAP (26 mg; 0.04 mmol; 0.10 eq.) and palladium(ll) acetate (9 mg; 0.04 mmol; 0.10 eq.) in anhydrous dioxane (3 mL). Conditions: 3 hours at 120 °C. Purification by FCC (0% to 100% EtOAc gradient in hexane followed by 0% to 10% MeOH gradient in EtOAc) yields 4-[(8-chloroquinoxalin-6-yl)amino]pyridine-3- carbonitrile (45 mg; 0.16 mmol; 39%; off-white powder; HPLC purity: 97.4%).
  • 10
  • [ 15827-84-6 ]
  • [ 98-80-6 ]
  • [ 3810-12-6 ]
YieldReaction ConditionsOperation in experiment
60% With 5,5'-dimethyl-2,2'-bipyridine; methanesulfonic acid; palladium(II) trifluoroacetate In 2-methyltetrahydrofuran; water at 80℃; for 4h; Inert atmosphere; 7.1 [00200] 3-benzoylpyridin-4-amine (EV-AT1790-001) - Step 1 [00201] To a round-bottomed flask was added 4-aminopyridine-3-carbonitrile (500 mg, 4.2 mmol), phenylboronic acid (1023.6 mg, 8.4 mmol), Pd(TFA)2 (69.8 mg, 0.2 mmol), 5,5'-dimethyl-2,2'-bipyridine (58 mg, 0.3 mmol), methanesulfonic acid, 70% aq (70%, 5762.7 mg, 42 mmol), 2- methyl-THF (10 ml) and water (5 ml). The mixture was heated to 80C under N2 for 4 h. The mixture was cooled to room temperature, neutralized with saturated NaHCCb (aq) and extracted into EtOAc (2 x 30 ml). The combined organics were concentrated in vacuo and the crude yellow oil purified by flash column chromatography (0-20% MeOH in EtOAc) to afford 501 mg (60%) of 3-benzoylpyridin-4-amine (EV-AT1790-001) as a white crystalline solid. LCMS (method B): retention time 1.40min, M/z = 199.2 (M + 1).
  • 11
  • [ 15827-84-6 ]
  • N-(3-(2-chlorobenzoyl)pyridin-4-yl)-4-(2-methoxyphenyl)piperazine-1-carboxamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1.1: palladium(II) trifluoroacetate; 5,5'-dimethyl-2,2'-bipyridine; methanesulfonic acid / 2-methyltetrahydrofuran; water / 36 h / 80 °C 2.1: pyridine; bis(trichloromethyl) carbonate / 1,2-dichloro-ethane / 1 h / 90 °C / Inert atmosphere 2.2: 4 h / Inert atmosphere; Reflux
  • 12
  • [ 15827-84-6 ]
  • N-(3-(2-chlorobenzoyl)pyridin-4-yl)-4-(3-methoxyphenyl)piperazine-1-carboxamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1.1: palladium(II) trifluoroacetate; 5,5'-dimethyl-2,2'-bipyridine; methanesulfonic acid / 2-methyltetrahydrofuran; water / 36 h / 80 °C 2.1: pyridine; bis(trichloromethyl) carbonate / 1,2-dichloro-ethane / 1 h / 90 °C / Inert atmosphere 2.2: 4 h / Inert atmosphere; Reflux
  • 13
  • [ 15827-84-6 ]
  • 5-(4-(2-methoxyphenyl)piperazine-1-carbonyl)benzo[b][1,6]naphthyridin-10(5H)-one [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1.1: palladium(II) trifluoroacetate; 5,5'-dimethyl-2,2'-bipyridine; methanesulfonic acid / 2-methyltetrahydrofuran; water / 36 h / 80 °C 2.1: pyridine; bis(trichloromethyl) carbonate / 1,2-dichloro-ethane / 1 h / 90 °C / Inert atmosphere 2.2: 4 h / Inert atmosphere; Reflux 3.1: palladium diacetate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; caesium carbonate / 1,4-dioxane / 5 h / 115 °C / Inert atmosphere
  • 14
  • [ 15827-84-6 ]
  • 5-(4-(3-methoxyphenyl)piperazine-1-carbonyl)benzo[b][1,6]naphthyridin-10(5H)-one [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1.1: palladium(II) trifluoroacetate; 5,5'-dimethyl-2,2'-bipyridine; methanesulfonic acid / 2-methyltetrahydrofuran; water / 36 h / 80 °C 2.1: pyridine; bis(trichloromethyl) carbonate / 1,2-dichloro-ethane / 1 h / 90 °C / Inert atmosphere 2.2: 4 h / Inert atmosphere; Reflux 3.1: palladium diacetate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; caesium carbonate / 1,4-dioxane / 5 h / 115 °C / Inert atmosphere
  • 15
  • [ 15827-84-6 ]
  • [ 244205-40-1 ]
  • [ 109575-10-2 ]
YieldReaction ConditionsOperation in experiment
15% With 5,5'-dimethyl-2,2'-bipyridine; methanesulfonic acid; palladium(II) trifluoroacetate In 2-methyltetrahydrofuran; water at 80℃; for 36h; (2-Aminophenyl)(2-chlorophenyl)methanone (3a) General procedure: 2-Aminobenzonitrile (1a, 1.2 g,10 mmol), 2-chlorophenylboronic acid (2a, 3.1 g, 20 mmol), palladium(II) trifluoroacetate(0.17 g, 0.50 mmol), 5,5’-dimethyl-2,2’-bipyridyl (0.19 g, 1.0 mmol) and methanesulfonicacid (9.6 g, 0.1 mol) were suspended in a mixture of 2-methyltetrahydrofuran (15 mL) andH2O (10 mL). The mixture was heated to 80 °C for 36 h under air. After cooling to roomtemperature, the mixture was extracted with ethyl acetate (3 × 30 mL), washed with brine (3 ×30 mL), dried over Na2SO4 and the combined organic layers were concentrated under reducedpressure. The crude product was purified by column chromatography (10% ethylacetate/cyclohexane) to give 3a as a yellow oil (1.5 g, 66%).
  • 16
  • [ 15827-84-6 ]
  • 4-oxo-4,6-dihydropyrido[4,3-d][1,2,3]triazine 2-oxide [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: sodium azide; ammonium chloride / N,N-dimethyl-formamide / 12 h / 120 °C 2: trifluoroacetic anhydride; nitric acid / -15 °C
  • 17
  • [ 15827-84-6 ]
  • 4-amino-N’-hydroxynicotinimidamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
77% With hydroxylamine In methanol at 20℃; for 1h;
  • 18
  • [ 15827-84-6 ]
  • 4-aminopyrido[4,3-d][1,2,3]triazine 3-oxide [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: hydroxylamine / methanol / 1 h / 20 °C 2: sodium nitrite; hydrogenchloride / water / 0.5 h / -5 °C
  • 19
  • [ 15827-84-6 ]
  • 3-tetrazolylpyridin-4-amine [ No CAS ]
YieldReaction ConditionsOperation in experiment
80% With sodium azide; ammonium chloride In N,N-dimethyl-formamide at 120℃; for 12h;
  • 20
  • [ 61117-58-6 ]
  • [ 591-50-4 ]
  • [ 15827-84-6 ]
  • N-(3-cyanopyridin-4-yl)benzamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
66% With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; 1,8-diazabicyclo[5.4.0]undec-7-ene In 1,4-dioxane at 110℃; Schlenk technique; Inert atmosphere; Sealed tube; chemoselective reaction;
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