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[ CAS No. 863028-98-2 ] {[proInfo.proName]}

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3d Animation Molecule Structure of 863028-98-2
Chemical Structure| 863028-98-2
Chemical Structure| 863028-98-2
Structure of 863028-98-2 * Storage: {[proInfo.prStorage]}
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Product Details of [ 863028-98-2 ]

CAS No. :863028-98-2 MDL No. :MFCD11617313
Formula : C7H9N3O2S Boiling Point : -
Linear Structure Formula :- InChI Key :YULKSKDPASSZNR-UHFFFAOYSA-N
M.W : 199.23 Pubchem ID :18374856
Synonyms :

Calculated chemistry of [ 863028-98-2 ]      Expand+

Physicochemical Properties

Num. heavy atoms : 13
Num. arom. heavy atoms : 6
Fraction Csp3 : 0.29
Num. rotatable bonds : 3
Num. H-bond acceptors : 4.0
Num. H-bond donors : 2.0
Molar Refractivity : 50.02
TPSA : 100.41 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : No
CYP1A2 inhibitor : No
CYP2C19 inhibitor : No
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.49 cm/s

Lipophilicity

Log Po/w (iLOGP) : 1.58
Log Po/w (XLOGP3) : 1.44
Log Po/w (WLOGP) : 0.75
Log Po/w (MLOGP) : -0.01
Log Po/w (SILICOS-IT) : 0.49
Consensus Log Po/w : 0.85

Druglikeness

Lipinski : 0.0
Ghose : None
Veber : 0.0
Egan : 0.0
Muegge : 1.0
Bioavailability Score : 0.56

Water Solubility

Log S (ESOL) : -2.13
Solubility : 1.49 mg/ml ; 0.00748 mol/l
Class : Soluble
Log S (Ali) : -3.15
Solubility : 0.14 mg/ml ; 0.000701 mol/l
Class : Soluble
Log S (SILICOS-IT) : -1.97
Solubility : 2.14 mg/ml ; 0.0108 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 0.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 1.85

Safety of [ 863028-98-2 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 863028-98-2 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Downstream synthetic route of [ 863028-98-2 ]

[ 863028-98-2 ] Synthesis Path-Downstream   1~50

  • 1
  • [ 863028-98-2 ]
  • [ 863029-00-9 ]
YieldReaction ConditionsOperation in experiment
43% Stage #1: 4-methylamino-2-methylsulfanylpyrimidine-5-carboxylic acid With benzotriazol-1-ol; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In N,N-dimethyl-formamide at 20℃; for 4h; Stage #2: With ammonium hydroxide In N,N-dimethyl-formamide at 20℃; for 14h;
  • 2
  • [ 76360-82-2 ]
  • [ 863028-98-2 ]
YieldReaction ConditionsOperation in experiment
94% With sodium hydroxide In ethanol at 50℃; for 1h;
80% With water; sodium hydroxide In methanol at 20℃; for 20h; Inert atmosphere;
80% With sodium hydroxide In methanol; water at 20℃; for 20h; Inert atmosphere;
70% With lithium hydroxide In methanol; water at 60℃; for 3h; 25.2 Step 2: 4-(Methylamino)-2-(methylthio)pyrimidine-5-carboxylic acid: Lithium hydroxide (211 mg, 8.8 mmol) was added to ethyl 4-(methylamino)-2-(methylthio)pyrimidine-5-carboxylate (1.0 g, 4.4 mmol) in a mixture of methanol(8 mL) and water (4 mL) to give a white suspension. This was heated to 60 °C for 3 h and then concentrated to dryness under reduced pressure. The residue was re-dissolved in water (25 mL) and acidified with acetic acid to pH 5. The precipitated solid was isolated byfiltration, washed with water (2 x 10 mL) and freeze-dried to give the title compound (610 mg, 70%) as an off- white solid. ‘H NMR (500 MHz, DMSQ-d6): 6 13.10 (br s, 1H), 8.49 (s, 1H), 8.36 (br s, 1H), 2.98 (d, 3H), 2.49 (s, 3H). LCMS (Method A): RT = 0.52 mi m/z = 200[M+H].

  • 3
  • [ 863028-98-2 ]
  • 2-(2-amino-ethylamino)-4-methylamino-pyrimidine-5-carboxylic acid amide [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1.1: 1-(3-dimethylaminopropyl)-3-ethylcarbodiimide hydrochloride; 1-hydroxybenzotriazole / dimethylformamide / 4 h / 20 °C 1.2: 43 percent / aqueous ammonia / dimethylformamide / 14 h / 20 °C 2.1: 28 percent / acetonitrile / 0.5 h / 20 °C
  • 4
  • [ 5909-24-0 ]
  • [ 863028-98-2 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: 84 percent / toluene / 8 h / Heating 2: 94 percent / NaOH / ethanol / 1 h / 50 °C
Multi-step reaction with 2 steps 1: triethylamine / tetrahydrofuran / 50 °C 2: lithium hydroxide / water; methanol / 3 h / 60 °C
Multi-step reaction with 2 steps 1: triethylamine / tetrahydrofuran / 15 h / 0 - 20 °C / Inert atmosphere 2: sodium hydroxide; water / methanol / 20 h / 20 °C / Inert atmosphere
Multi-step reaction with 2 steps 1: triethylamine / tetrahydrofuran / 15 h / 0 - 20 °C / Inert atmosphere 2: sodium hydroxide / methanol; water / 20 h / 20 °C / Inert atmosphere

  • 5
  • [ 863028-98-2 ]
  • 4-(methylamino)-2-(methylthio)pyrimidine-5-carbonyl fluoride [ No CAS ]
YieldReaction ConditionsOperation in experiment
90% With trifluoro-[1,3,5]triazine; triethylamine In dichloromethane at 20℃; for 2h; 25.3 Step 3: 4-(Methylamino)-2-(methylthio)pyrimidine-5- carbonyl fluoride: To a solution of 4-(methylamino)-2-(methylthio)pyrimidine-5-carboxylic acid (610 mg, 3.1mmol) and triethylamine (470 1L, 3.4 mmol) in anhydrous dichloromethane (6 mL) was added dropwise a solution of cyanuric fluoride (525 1L, 6.1 mmol) in anhydrous dichloromethane (3 mL) and the mixture stirred at RT for 2 h. The reaction mixture was diluted with dichloromethane (20 mL), washed with ice-cold water (2 x20 mL), dried over Na2SO4, filtered, and concentrated todryness under reduced pressure to give the title compound(555 mg, 90%) as an off-white solid. ‘H NMR (500 MHz,CDC13) : 6 8.56 (s, 1H), 7.60 (br s, 1H), 3.14 (d, 3H),2.57 (s, 3H) . LCMS (Method A) : = 1.05 mi m/z =202.15 [M+H].
  • 6
  • [ 863028-98-2 ]
  • 7-amino-6-(2-chlorophenyl)-8-methyl-2-(methylthio)pyrido[2,3-d]pyrimidin-5(8H)-one [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1.1: trifluoro-[1,3,5]triazine; triethylamine / dichloromethane / 2 h / 20 °C 2.1: sodium hydride / N,N-dimethyl-formamide; mineral oil / 0.17 h / 0 - 20 °C 2.2: 1 h / 0 - 20 °C 2.3: 2 h / 20 °C
  • 7
  • [ 863028-98-2 ]
  • 2-(2-chlorophenyl)-1-(4-(methylamino)-2-(methylthio)pyrimidin-5-yl)buta-1,3-diene-1,3-diol [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1.1: trifluoro-[1,3,5]triazine; triethylamine / dichloromethane / 2 h / 20 °C 2.1: sodium hydride / N,N-dimethyl-formamide; mineral oil / 0.17 h / 0 - 20 °C 2.2: 1 h / 0 - 20 °C
  • 8
  • [ 863028-98-2 ]
  • 6-(2-chlorophenyl)-7,8-dimethyl-2-(methylthio)pyrido[2,3-d]pyrimidin-5(8H)-one [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1.1: trifluoro-[1,3,5]triazine; triethylamine / dichloromethane / 2 h / 20 °C 2.1: sodium hydride / N,N-dimethyl-formamide; mineral oil / 0.17 h / 0 - 20 °C 2.2: 1 h / 0 - 20 °C 3.1: polyphosphoric acid / 3 h / 140 °C / Inert atmosphere
  • 9
  • [ 863028-98-2 ]
  • 7-amino-6-(2-chlorophenyl)-8-methyl-2-((4-(4-methylpiperazin-1-yl)phenyl)amino)pyrido[2,3-d]pyrimidin-5(8H)-one [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1.1: trifluoro-[1,3,5]triazine; triethylamine / dichloromethane / 2 h / 20 °C 2.1: sodium hydride / N,N-dimethyl-formamide; mineral oil / 0.17 h / 0 - 20 °C 2.2: 1 h / 0 - 20 °C 2.3: 2 h / 20 °C 3.1: 3-chloro-benzenecarboperoxoic acid / toluene / 0.5 h / 20 °C 3.2: 0.5 h / 20 °C 3.3: 20 °C
  • 10
  • [ 863028-98-2 ]
  • 6-(2-chlorophenyl)-7,8-dimethyl-2-((4-(4-methylpiperazin-1-yl)phenyl)amino)pyrido[2,3-d]pyrimidin-5(8H)-one [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 4 steps 1.1: trifluoro-[1,3,5]triazine; triethylamine / dichloromethane / 2 h / 20 °C 2.1: sodium hydride / N,N-dimethyl-formamide; mineral oil / 0.17 h / 0 - 20 °C 2.2: 1 h / 0 - 20 °C 3.1: polyphosphoric acid / 3 h / 140 °C / Inert atmosphere 4.1: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 0.5 h / 0 °C 4.2: 50 °C
  • 11
  • [ 863028-98-2 ]
  • tert-butyl 4-(4-((6-(2,6-dichlorophenyl)-8-methyl-5-oxo-5,6,7,8-tetrahydropyrimido[4,5-d]pyrimidin-2-yl)amino)-2-(methoxymethyl)phenyl)piperazine-1-carboxylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1.1: phosphorus trichloride / chlorobenzene / 16 h / 120 °C 2.1: caesium carbonate / acetonitrile / 16 h / 80 °C 3.1: 3-chloro-benzenecarboperoxoic acid / toluene; dichloromethane / 0.5 h 3.2: 40 h / 75 °C
  • 12
  • [ 863028-98-2 ]
  • [ 95-51-2 ]
  • N-(2-chlorophenyl)-4-(methylamino)-2-(methylthio)pyrimidine-5-carboxamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
74% With phosphorus trichloride In chlorobenzene at 120℃; for 64h; 24.1 N-(2-Chlorophenyl)-4-(methylamino)-2- (methylthio) pyrimidine-5-carboxamide: 4- (Methylamino) -2- (methylthio) pyrimidine-5-carboxylicacid (400 mg, 2.01 mmol) was suspended in chlorobenzene(10 mL) and phosphorous trichloride (0.184 mL, 2.11 mmol)was added, followed by 2-chloroaniline (282 mg, 2.21mmol) . The mixture was stirred at 120 °C for 64 h, thenconcentrated in vacuo. The residue was taken up in aqueous Na2CO3 and extracted with ethyl acetate (x 2) . The organics were dried (Na2504), filtered and concentrated in vacua to yield an off-white solid. This was trituratedwith diethyl ether to give the title compound as a white solid (460 mg, 74%) . ‘H NMR (400 MHz, CDC13) : 5 8.53 (s, 1H), 8.42 (s, 1H), 8.32 (s, 1H), 8.21 (s, 1H), 7.42 (d, 1H), 7.31 (t, 1H), 7.10 (t, 1H), 3.10 (d, 3H), 2.57 (s, 3H) . LCMS (Method A): = 0.58 / 0.65 mm (split peak),m/z = 450 [M+H].
  • 13
  • [ 863028-98-2 ]
  • [ 608-31-1 ]
  • N-(2,6-dichlorophenyl)-4-(methylamino)-2-(methylthio)pyrimidine-5-carboxamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
21% With phosphorus trichloride In chlorobenzene at 120℃; for 16h; 1.1 N- ( 2 , 6 -Dichlorophenyl ) -4- (methylamino ) -2- (methylthio) pyrimidine-5-carboxamide 4- (Methylamino ) -2- (methylthio) pyrimidine-5-carboxyl ic acid [Bioorg. Med. Chem. 2005, 13 (16), 4936] (0.5 g, 2.51 mmol) was suspended in chlorobenzene (10 mL) and 2 , 6-dichloroaniline (0.407 g, 2.51 mmol) was added. Phosphorous trichloride (0.220 mL, 2.51 mmol) was added and the mixture was stirred at 120 °C for 16 h. The reaction was quenched with 2 M aqueous Na2CC>3, then extracted with ethyl acetate (x 2) . The combined organic extracts were washed with brine then dried (MgSC>4) , filtered and concentrated (azeotroped with toluene) . The residue was triturated with diethyl ether and the title compound was collected by filtration to give the title compound as a slightly yellow solid (180 mg, 21%) . The mother liquor was concentrated to give a further, slightly less pure sample of the title compound (300 mg; overall yield 56%). NMR (500 MHz, DMSO-d6): δ 10.27 (s, 1H), 8.72 (br s, 1H) , 8.61 (br s, 1H) , 7.60 (m, 2H) , 7.45 (m, 1H) , 2.96 (s, 3H) , SMe peak presumably masked by solvent. LCMS (Method A): RT = 1.24 min, m/z = 343 [M+H]+.
  • 14
  • [ 863028-98-2 ]
  • [ 30069-31-9 ]
  • N-(2-methyl-5-(3-(trifluoromethyl)benzamido)phenyl)-4-(methylamino)-2-(methylthio) pyrimidine-5-carboxamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
80% With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate In N,N-dimethyl-formamide at 20℃; for 20h; Inert atmosphere;
  • 15
  • [ 863028-98-2 ]
  • N-(5-(benzo[d][1,3]dioxole-5-carboxamido)-2-methylphenyl)-4-(methylamino)-2-(methylsulfonyl)pyrimidine-5-carboxamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 4 steps 1: N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 20 h / 20 °C / Inert atmosphere 2: hydrogenchloride / methanol / 2 h / 20 °C / Inert atmosphere 3: N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 2 h / 0 °C / Inert atmosphere 4: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 22 h / 0 - 20 °C / Inert atmosphere
Multi-step reaction with 4 steps 1: N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 20 h / 20 °C / Inert atmosphere 2: hydrogenchloride / methanol / 2 h / 20 °C / Inert atmosphere 3: N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 2 h / 0 °C / Inert atmosphere 4: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 22 h / 0 - 20 °C / Inert atmosphere
  • 16
  • [ 863028-98-2 ]
  • N-(5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamido)-2-methylphenyl)-4-(methylamino)-2-(methylsulfonyl)pyrimidine-5-carboxamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 4 steps 1: N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 20 h / 20 °C / Inert atmosphere 2: hydrogenchloride / methanol / 2 h / 20 °C / Inert atmosphere 3: N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 2 h / 0 °C / Inert atmosphere 4: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 22 h / 0 - 20 °C / Inert atmosphere
Multi-step reaction with 4 steps 1: N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 20 h / 20 °C / Inert atmosphere 2: hydrogenchloride / methanol / 2 h / 20 °C / Inert atmosphere 3: N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 2 h / 0 °C / Inert atmosphere 4: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 22 h / 0 - 20 °C / Inert atmosphere
  • 17
  • [ 863028-98-2 ]
  • N-(5-(2-methoxybenzamido)-2-methylphenyl)-2-(4-methyl-3-nitrophenylamino)-4-(methylamino)pyrimidine-5-carboxamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 5 steps 1: N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 20 h / 20 °C / Inert atmosphere 2: hydrogenchloride / methanol / 2 h / 20 °C / Inert atmosphere 3: N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 2 h / 0 °C / Inert atmosphere 4: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 22 h / 0 - 20 °C / Inert atmosphere 5: trifluoroacetic acid / 1,4-dioxane / 2 h / 120 °C / Inert atmosphere
Multi-step reaction with 5 steps 1: N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 20 h / 20 °C / Inert atmosphere 2: hydrogenchloride / methanol / 2 h / 20 °C / Inert atmosphere 3: N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 2 h / 0 °C / Inert atmosphere 4: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 22 h / 0 - 20 °C / Inert atmosphere 5: trifluoroacetic acid / 1,4-dioxane / 2 h / 120 °C / Inert atmosphere
  • 18
  • [ 863028-98-2 ]
  • N-(5-(3-methoxybenzamido)-2-methylphenyl)-2-(4-methyl-3-nitrophenylamino)-4-(methylamino)pyrimidine-5-carboxamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 5 steps 1: N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 20 h / 20 °C / Inert atmosphere 2: hydrogenchloride / methanol / 2 h / 20 °C / Inert atmosphere 3: N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 2 h / 0 °C / Inert atmosphere 4: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 22 h / 0 - 20 °C / Inert atmosphere 5: trifluoroacetic acid / 1,4-dioxane / 2 h / 120 °C / Inert atmosphere
Multi-step reaction with 5 steps 1: N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 20 h / 20 °C / Inert atmosphere 2: hydrogenchloride / methanol / 2 h / 20 °C / Inert atmosphere 3: N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 2 h / 0 °C / Inert atmosphere 4: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 22 h / 0 - 20 °C / Inert atmosphere 5: trifluoroacetic acid / 1,4-dioxane / 2 h / 120 °C / Inert atmosphere
  • 19
  • [ 863028-98-2 ]
  • N-(5-(3,4-dimethoxybenzamido)-2-methylphenyl)-2-(4-methyl-3-nitrophenylamino)-4-(methylamino)pyrimidine-5-carboxamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 5 steps 1: N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 20 h / 20 °C / Inert atmosphere 2: hydrogenchloride / methanol / 2 h / 20 °C / Inert atmosphere 3: N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 2 h / 0 °C / Inert atmosphere 4: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 22 h / 0 - 20 °C / Inert atmosphere 5: trifluoroacetic acid / 1,4-dioxane / 2 h / 120 °C / Inert atmosphere
Multi-step reaction with 5 steps 1: N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 20 h / 20 °C / Inert atmosphere 2: hydrogenchloride / methanol / 2 h / 20 °C / Inert atmosphere 3: N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 2 h / 0 °C / Inert atmosphere 4: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 22 h / 0 - 20 °C / Inert atmosphere 5: trifluoroacetic acid / 1,4-dioxane / 2 h / 120 °C / Inert atmosphere
  • 20
  • [ 863028-98-2 ]
  • N-(5-(3,5-dimethoxybenzamido)-2-methylphenyl)-2-(4-methyl-3-nitrophenylamino)-4-(methylamino)pyrimidine-5-carboxamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 5 steps 1: N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 20 h / 20 °C / Inert atmosphere 2: hydrogenchloride / methanol / 2 h / 20 °C / Inert atmosphere 3: N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 2 h / 0 °C / Inert atmosphere 4: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 22 h / 0 - 20 °C / Inert atmosphere 5: trifluoroacetic acid / 1,4-dioxane / 2 h / 120 °C / Inert atmosphere
Multi-step reaction with 5 steps 1: N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 20 h / 20 °C / Inert atmosphere 2: hydrogenchloride / methanol / 2 h / 20 °C / Inert atmosphere 3: N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 2 h / 0 °C / Inert atmosphere 4: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 22 h / 0 - 20 °C / Inert atmosphere 5: trifluoroacetic acid / 1,4-dioxane / 2 h / 120 °C / Inert atmosphere
  • 21
  • [ 863028-98-2 ]
  • 2-(4-methyl-3-nitrophenylamino)-N-(2-methyl-5-(3,4,5-trimethoxybenzamido)phenyl)-4-(methylamino)pyrimidine-5-carboxamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 5 steps 1: N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 20 h / 20 °C / Inert atmosphere 2: hydrogenchloride / methanol / 2 h / 20 °C / Inert atmosphere 3: N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 2 h / 0 °C / Inert atmosphere 4: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 22 h / 0 - 20 °C / Inert atmosphere 5: trifluoroacetic acid / 1,4-dioxane / 2 h / 120 °C / Inert atmosphere
Multi-step reaction with 5 steps 1: N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 20 h / 20 °C / Inert atmosphere 2: hydrogenchloride / methanol / 2 h / 20 °C / Inert atmosphere 3: N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 2 h / 0 °C / Inert atmosphere 4: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 22 h / 0 - 20 °C / Inert atmosphere 5: trifluoroacetic acid / 1,4-dioxane / 2 h / 120 °C / Inert atmosphere
  • 22
  • [ 863028-98-2 ]
  • N-(5-(benzo[d][1,3]dioxole-5-carboxamido)-2-methylphenyl)-2-(4-methyl-3-nitrophenylamino)-4-(methylamino)pyrimidine-5-carboxamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 5 steps 1: N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 20 h / 20 °C / Inert atmosphere 2: hydrogenchloride / methanol / 2 h / 20 °C / Inert atmosphere 3: N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 2 h / 0 °C / Inert atmosphere 4: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 22 h / 0 - 20 °C / Inert atmosphere 5: trifluoroacetic acid / 1,4-dioxane / 2 h / 120 °C / Inert atmosphere
Multi-step reaction with 5 steps 1: N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 20 h / 20 °C / Inert atmosphere 2: hydrogenchloride / methanol / 2 h / 20 °C / Inert atmosphere 3: N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 2 h / 0 °C / Inert atmosphere 4: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 22 h / 0 - 20 °C / Inert atmosphere 5: trifluoroacetic acid / 1,4-dioxane / 2 h / 120 °C / Inert atmosphere
  • 23
  • [ 863028-98-2 ]
  • N-(5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamido)-2-methylphenyl)-2-(4-methyl-3-nitrophenylamino)-4-(methylamino)-pyrimidine-5-carboxamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 5 steps 1: N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 20 h / 20 °C / Inert atmosphere 2: hydrogenchloride / methanol / 2 h / 20 °C / Inert atmosphere 3: N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 2 h / 0 °C / Inert atmosphere 4: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 22 h / 0 - 20 °C / Inert atmosphere 5: trifluoroacetic acid / 1,4-dioxane / 2 h / 120 °C / Inert atmosphere
Multi-step reaction with 5 steps 1: N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 20 h / 20 °C / Inert atmosphere 2: hydrogenchloride / methanol / 2 h / 20 °C / Inert atmosphere 3: N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 2 h / 0 °C / Inert atmosphere 4: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 22 h / 0 - 20 °C / Inert atmosphere 5: trifluoroacetic acid / 1,4-dioxane / 2 h / 120 °C / Inert atmosphere
  • 24
  • [ 863028-98-2 ]
  • 2-(3-amino-4-methylphenylamino)-N-(5-(2-methoxybenzamido)-2-methylphenyl)-4-(methylamino)pyrimidine-5-carboxamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 6 steps 1: N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 20 h / 20 °C / Inert atmosphere 2: hydrogenchloride / methanol / 2 h / 20 °C / Inert atmosphere 3: N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 2 h / 0 °C / Inert atmosphere 4: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 22 h / 0 - 20 °C / Inert atmosphere 5: trifluoroacetic acid / 1,4-dioxane / 2 h / 120 °C / Inert atmosphere 6: tin(II) chloride dihdyrate / methanol / 14 h / Inert atmosphere; Reflux
Multi-step reaction with 6 steps 1: N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 20 h / 20 °C / Inert atmosphere 2: hydrogenchloride / methanol / 2 h / 20 °C / Inert atmosphere 3: N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 2 h / 0 °C / Inert atmosphere 4: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 22 h / 0 - 20 °C / Inert atmosphere 5: trifluoroacetic acid / 1,4-dioxane / 2 h / 120 °C / Inert atmosphere 6: tin(II) chloride dihdyrate / methanol / 14 h / Inert atmosphere; Reflux
  • 25
  • [ 863028-98-2 ]
  • 2-(3-amino-4-methylphenylamino)-N-(5-(3-methoxybenzamido)-2-methylphenyl)-4-(methylamino)pyrimidine-5-carboxamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 6 steps 1: N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 20 h / 20 °C / Inert atmosphere 2: hydrogenchloride / methanol / 2 h / 20 °C / Inert atmosphere 3: N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 2 h / 0 °C / Inert atmosphere 4: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 22 h / 0 - 20 °C / Inert atmosphere 5: trifluoroacetic acid / 1,4-dioxane / 2 h / 120 °C / Inert atmosphere 6: tin(II) chloride dihdyrate / methanol / 14 h / Inert atmosphere; Reflux
Multi-step reaction with 6 steps 1: N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 20 h / 20 °C / Inert atmosphere 2: hydrogenchloride / methanol / 2 h / 20 °C / Inert atmosphere 3: N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 2 h / 0 °C / Inert atmosphere 4: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 22 h / 0 - 20 °C / Inert atmosphere 5: trifluoroacetic acid / 1,4-dioxane / 2 h / 120 °C / Inert atmosphere 6: tin(II) chloride dihdyrate / methanol / 14 h / Inert atmosphere; Reflux
  • 26
  • [ 863028-98-2 ]
  • 2-(3-amino-4-methylphenylamino)-N-(5-(3,4-dimethoxybenzamido)-2-methylphenyl)-4-(methylamino)pyrimidine-5-carboxamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 6 steps 1: N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 20 h / 20 °C / Inert atmosphere 2: hydrogenchloride / methanol / 2 h / 20 °C / Inert atmosphere 3: N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 2 h / 0 °C / Inert atmosphere 4: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 22 h / 0 - 20 °C / Inert atmosphere 5: trifluoroacetic acid / 1,4-dioxane / 2 h / 120 °C / Inert atmosphere 6: tin(II) chloride dihdyrate / methanol / 14 h / Inert atmosphere; Reflux
Multi-step reaction with 6 steps 1: N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 20 h / 20 °C / Inert atmosphere 2: hydrogenchloride / methanol / 2 h / 20 °C / Inert atmosphere 3: N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 2 h / 0 °C / Inert atmosphere 4: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 22 h / 0 - 20 °C / Inert atmosphere 5: trifluoroacetic acid / 1,4-dioxane / 2 h / 120 °C / Inert atmosphere 6: tin(II) chloride dihdyrate / methanol / 14 h / Inert atmosphere; Reflux
  • 27
  • [ 863028-98-2 ]
  • 2-(3-amino-4-methylphenylamino)-N-(5-(3,5-dimethoxybenzamido)-2-methylphenyl)-4-(methylamino)pyrimidine-5-carboxamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 6 steps 1: N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 20 h / 20 °C / Inert atmosphere 2: hydrogenchloride / methanol / 2 h / 20 °C / Inert atmosphere 3: N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 2 h / 0 °C / Inert atmosphere 4: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 22 h / 0 - 20 °C / Inert atmosphere 5: trifluoroacetic acid / 1,4-dioxane / 2 h / 120 °C / Inert atmosphere 6: tin(II) chloride dihdyrate / methanol / 14 h / Inert atmosphere; Reflux
Multi-step reaction with 6 steps 1: N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 20 h / 20 °C / Inert atmosphere 2: hydrogenchloride / methanol / 2 h / 20 °C / Inert atmosphere 3: N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 2 h / 0 °C / Inert atmosphere 4: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 22 h / 0 - 20 °C / Inert atmosphere 5: trifluoroacetic acid / 1,4-dioxane / 2 h / 120 °C / Inert atmosphere 6: tin(II) chloride dihdyrate / methanol / 14 h / Inert atmosphere; Reflux
  • 28
  • [ 863028-98-2 ]
  • 2-(3-amino-4-methylphenylamino)-N-(2-methyl-5-(3,4,5-trimethoxybenzamido)phenyl)-4-(methylamino)pyrimidine-5-carboxamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 6 steps 1: N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 20 h / 20 °C / Inert atmosphere 2: hydrogenchloride / methanol / 2 h / 20 °C / Inert atmosphere 3: N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 2 h / 0 °C / Inert atmosphere 4: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 22 h / 0 - 20 °C / Inert atmosphere 5: trifluoroacetic acid / 1,4-dioxane / 2 h / 120 °C / Inert atmosphere 6: tin(II) chloride dihdyrate / methanol / 14 h / Inert atmosphere; Reflux
Multi-step reaction with 6 steps 1: N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 20 h / 20 °C / Inert atmosphere 2: hydrogenchloride / methanol / 2 h / 20 °C / Inert atmosphere 3: N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 2 h / 0 °C / Inert atmosphere 4: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 22 h / 0 - 20 °C / Inert atmosphere 5: trifluoroacetic acid / 1,4-dioxane / 2 h / 120 °C / Inert atmosphere 6: tin(II) chloride dihdyrate / methanol / 14 h / Inert atmosphere; Reflux
  • 29
  • [ 863028-98-2 ]
  • 2-(3-amino-4-methylphenylamino)-N-(5-(benzo[d][1,3]dioxole-5-carboxamido)-2-methylphenyl)-4-(methylamino)pyrimidine-5-carboxamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 6 steps 1: N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 20 h / 20 °C / Inert atmosphere 2: hydrogenchloride / methanol / 2 h / 20 °C / Inert atmosphere 3: N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 2 h / 0 °C / Inert atmosphere 4: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 22 h / 0 - 20 °C / Inert atmosphere 5: trifluoroacetic acid / 1,4-dioxane / 2 h / 120 °C / Inert atmosphere 6: tin(II) chloride dihdyrate / methanol / 14 h / Inert atmosphere; Reflux
Multi-step reaction with 6 steps 1: N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 20 h / 20 °C / Inert atmosphere 2: hydrogenchloride / methanol / 2 h / 20 °C / Inert atmosphere 3: N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 2 h / 0 °C / Inert atmosphere 4: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 22 h / 0 - 20 °C / Inert atmosphere 5: trifluoroacetic acid / 1,4-dioxane / 2 h / 120 °C / Inert atmosphere 6: tin(II) chloride dihdyrate / methanol / 14 h / Inert atmosphere; Reflux
  • 30
  • [ 863028-98-2 ]
  • 2-(3-amino-4-methylphenylamino)-N-(5-(2,3-dihydrobenzo[b]-[1,4]dioxine-6-carboxamido)-2-methylphenyl)-4-(methylamino)-pyrimidine-5-carboxamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 6 steps 1: N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 20 h / 20 °C / Inert atmosphere 2: hydrogenchloride / methanol / 2 h / 20 °C / Inert atmosphere 3: N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 2 h / 0 °C / Inert atmosphere 4: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 22 h / 0 - 20 °C / Inert atmosphere 5: trifluoroacetic acid / 1,4-dioxane / 2 h / 120 °C / Inert atmosphere 6: tin(II) chloride dihdyrate / methanol / 14 h / Inert atmosphere; Reflux
Multi-step reaction with 6 steps 1: N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 20 h / 20 °C / Inert atmosphere 2: hydrogenchloride / methanol / 2 h / 20 °C / Inert atmosphere 3: N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 2 h / 0 °C / Inert atmosphere 4: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 22 h / 0 - 20 °C / Inert atmosphere 5: trifluoroacetic acid / 1,4-dioxane / 2 h / 120 °C / Inert atmosphere 6: tin(II) chloride dihdyrate / methanol / 14 h / Inert atmosphere; Reflux
  • 31
  • [ 863028-98-2 ]
  • N-(2-methyl-5-(3-(trifluoromethyl)benzamido)phenyl)-4-(methylamino)-2-(methylsulfonyl) pyrimidine-5-carboxamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 20 h / 20 °C / Inert atmosphere 2: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 22 h / 0 - 20 °C / Inert atmosphere
Multi-step reaction with 4 steps 1: N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 20 h / 20 °C / Inert atmosphere 2: hydrogenchloride / methanol / 2 h / 20 °C / Inert atmosphere 3: N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 2 h / 0 °C / Inert atmosphere 4: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 22 h / 0 - 20 °C / Inert atmosphere
  • 32
  • [ 863028-98-2 ]
  • 2-(4-methyl-3-nitrophenylamino)-N-(2-methyl-5-(3-(trifluoromethyl)benzamido)phenyl)-4-(methylamino)pyrimidine-5-carboxamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 20 h / 20 °C / Inert atmosphere 2: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 22 h / 0 - 20 °C / Inert atmosphere 3: trifluoroacetic acid / 1,4-dioxane / 2 h / 120 °C / Inert atmosphere
Multi-step reaction with 5 steps 1: N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 20 h / 20 °C / Inert atmosphere 2: hydrogenchloride / methanol / 2 h / 20 °C / Inert atmosphere 3: N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 2 h / 0 °C / Inert atmosphere 4: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 22 h / 0 - 20 °C / Inert atmosphere 5: trifluoroacetic acid / 1,4-dioxane / 2 h / 120 °C / Inert atmosphere
  • 33
  • [ 863028-98-2 ]
  • 2-(3-amino-4-methylphenylamino)-N-(2-methyl-5-(3-(trifluoromethyl)benzamido)phenyl)-4-(methylamino)pyrimidine-5-carboxamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 4 steps 1: N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 20 h / 20 °C / Inert atmosphere 2: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 22 h / 0 - 20 °C / Inert atmosphere 3: trifluoroacetic acid / 1,4-dioxane / 2 h / 120 °C / Inert atmosphere 4: tin(II) chloride dihdyrate / methanol / 14 h / Inert atmosphere; Reflux
Multi-step reaction with 6 steps 1: N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 20 h / 20 °C / Inert atmosphere 2: hydrogenchloride / methanol / 2 h / 20 °C / Inert atmosphere 3: N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 2 h / 0 °C / Inert atmosphere 4: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 22 h / 0 - 20 °C / Inert atmosphere 5: trifluoroacetic acid / 1,4-dioxane / 2 h / 120 °C / Inert atmosphere 6: tin(II) chloride dihdyrate / methanol / 14 h / Inert atmosphere; Reflux
  • 34
  • [ 863028-98-2 ]
  • N-(5-amino-2-methylphenyl)-4-(methylamino)-2-(methylthio)pyrimidine-5-carboxamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 20 h / 20 °C / Inert atmosphere 2: hydrogenchloride / methanol / 2 h / 20 °C / Inert atmosphere
  • 35
  • [ 863028-98-2 ]
  • N-(5-(2-methoxybenzamido)-2-methylphenyl)-4-(methylamino)-2-(methylthio)pyrimidine-5-carboxamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 20 h / 20 °C / Inert atmosphere 2: hydrogenchloride / methanol / 2 h / 20 °C / Inert atmosphere 3: N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 2 h / 0 °C / Inert atmosphere
Multi-step reaction with 3 steps 1: N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 20 h / 20 °C / Inert atmosphere 2: hydrogenchloride / methanol / 2 h / 20 °C / Inert atmosphere 3: N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 2 h / 0 °C / Inert atmosphere
  • 36
  • [ 863028-98-2 ]
  • N-(5-(3-methoxybenzamido)-2-methylphenyl)-4-(methylamino)-2-(methylthio)pyrimidine-5-carboxamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 20 h / 20 °C / Inert atmosphere 2: hydrogenchloride / methanol / 2 h / 20 °C / Inert atmosphere 3: N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 2 h / 0 °C / Inert atmosphere
Multi-step reaction with 3 steps 1: N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 20 h / 20 °C / Inert atmosphere 2: hydrogenchloride / methanol / 2 h / 20 °C / Inert atmosphere 3: N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 2 h / 0 °C / Inert atmosphere
  • 37
  • [ 863028-98-2 ]
  • N-(5-(4-methoxybenzamido)-2-methylphenyl)-4-(methylamino)-2-(methylthio)pyrimidine-5-carboxamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 20 h / 20 °C / Inert atmosphere 2: hydrogenchloride / methanol / 2 h / 20 °C / Inert atmosphere 3: N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 2 h / 0 °C / Inert atmosphere
Multi-step reaction with 3 steps 1: N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 20 h / 20 °C / Inert atmosphere 2: hydrogenchloride / methanol / 2 h / 20 °C / Inert atmosphere 3: N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 2 h / 0 °C / Inert atmosphere
  • 38
  • [ 863028-98-2 ]
  • N-(5-(3,4-dimethoxybenzamido)-2-methylphenyl)-4-(methylamino)-2-(methylthio)pyrimidine-5-carboxamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 20 h / 20 °C / Inert atmosphere 2: hydrogenchloride / methanol / 2 h / 20 °C / Inert atmosphere 3: N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 2 h / 0 °C / Inert atmosphere
Multi-step reaction with 3 steps 1: N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 20 h / 20 °C / Inert atmosphere 2: hydrogenchloride / methanol / 2 h / 20 °C / Inert atmosphere 3: N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 2 h / 0 °C / Inert atmosphere
  • 39
  • [ 863028-98-2 ]
  • N-(5-(3,5-dimethoxybenzamido)-2-methylphenyl)-4-(methylamino)-2-(methylthio)pyrimidine-5-carboxamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 20 h / 20 °C / Inert atmosphere 2: hydrogenchloride / methanol / 2 h / 20 °C / Inert atmosphere 3: N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 2 h / 0 °C / Inert atmosphere
Multi-step reaction with 3 steps 1: N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 20 h / 20 °C / Inert atmosphere 2: hydrogenchloride / methanol / 2 h / 20 °C / Inert atmosphere 3: N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 2 h / 0 °C / Inert atmosphere
  • 40
  • [ 863028-98-2 ]
  • N-(2-methyl-5-(3,4,5-trimethoxybenzamido)phenyl)-4-(methylamino)-2-(methylthio)pyrimidine-5-carboxamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 20 h / 20 °C / Inert atmosphere 2: hydrogenchloride / methanol / 2 h / 20 °C / Inert atmosphere 3: N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 2 h / 0 °C / Inert atmosphere
Multi-step reaction with 3 steps 1: N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 20 h / 20 °C / Inert atmosphere 2: hydrogenchloride / methanol / 2 h / 20 °C / Inert atmosphere 3: N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 2 h / 0 °C / Inert atmosphere
  • 41
  • [ 863028-98-2 ]
  • N-(5-(benzo[d][1,3]dioxole-5-carboxamido)-2-methylphenyl)-4-(methylamino)-2-(methylthio)pyrimidine-5-carboxamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 20 h / 20 °C / Inert atmosphere 2: hydrogenchloride / methanol / 2 h / 20 °C / Inert atmosphere 3: N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 2 h / 0 °C / Inert atmosphere
Multi-step reaction with 3 steps 1: N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 20 h / 20 °C / Inert atmosphere 2: hydrogenchloride / methanol / 2 h / 20 °C / Inert atmosphere 3: N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 2 h / 0 °C / Inert atmosphere
  • 42
  • [ 863028-98-2 ]
  • N-(5-(2,3-dihydrobenzo[b][1,4]dioxine-6-carboxamido)-2-methylphenyl)-4-(methylamino)-2-(methylthio)pyrimidine-5-carboxamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 20 h / 20 °C / Inert atmosphere 2: hydrogenchloride / methanol / 2 h / 20 °C / Inert atmosphere 3: N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 2 h / 0 °C / Inert atmosphere
Multi-step reaction with 3 steps 1: N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 20 h / 20 °C / Inert atmosphere 2: hydrogenchloride / methanol / 2 h / 20 °C / Inert atmosphere 3: N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 2 h / 0 °C / Inert atmosphere
  • 43
  • [ 863028-98-2 ]
  • N-(5-(2-methoxybenzamido)-2-methylphenyl)-4-(methylamino)-2-(methylsulfonyl)pyrimidine-5-carboxamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 4 steps 1: N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 20 h / 20 °C / Inert atmosphere 2: hydrogenchloride / methanol / 2 h / 20 °C / Inert atmosphere 3: N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 2 h / 0 °C / Inert atmosphere 4: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 22 h / 0 - 20 °C / Inert atmosphere
Multi-step reaction with 4 steps 1: N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 20 h / 20 °C / Inert atmosphere 2: hydrogenchloride / methanol / 2 h / 20 °C / Inert atmosphere 3: N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 2 h / 0 °C / Inert atmosphere 4: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 22 h / 0 - 20 °C / Inert atmosphere
  • 44
  • [ 863028-98-2 ]
  • N-(5-(3-methoxybenzamido)-2-methylphenyl)-4-(methylamino)-2-(methylsulfonyl)pyrimidine-5-carboxamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 4 steps 1: N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 20 h / 20 °C / Inert atmosphere 2: hydrogenchloride / methanol / 2 h / 20 °C / Inert atmosphere 3: N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 2 h / 0 °C / Inert atmosphere 4: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 22 h / 0 - 20 °C / Inert atmosphere
Multi-step reaction with 4 steps 1: N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 20 h / 20 °C / Inert atmosphere 2: hydrogenchloride / methanol / 2 h / 20 °C / Inert atmosphere 3: N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 2 h / 0 °C / Inert atmosphere 4: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 22 h / 0 - 20 °C / Inert atmosphere
  • 45
  • [ 863028-98-2 ]
  • N-(5-(4-methoxybenzamido)-2-methylphenyl)-4-(methylamino)-2-(methylsulfonyl)pyrimidine-5-carboxamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 4 steps 1: N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 20 h / 20 °C / Inert atmosphere 2: hydrogenchloride / methanol / 2 h / 20 °C / Inert atmosphere 3: N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 2 h / 0 °C / Inert atmosphere 4: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 22 h / 0 - 20 °C / Inert atmosphere
Multi-step reaction with 4 steps 1: N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 20 h / 20 °C / Inert atmosphere 2: hydrogenchloride / methanol / 2 h / 20 °C / Inert atmosphere 3: N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 2 h / 0 °C / Inert atmosphere 4: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 22 h / 0 - 20 °C / Inert atmosphere
  • 46
  • [ 863028-98-2 ]
  • N-(5-(3,4-dimethoxybenzamido)-2-methylphenyl)-4-(methylamino)-2-(methylsulfonyl)pyrimidine-5-carboxamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 4 steps 1: N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 20 h / 20 °C / Inert atmosphere 2: hydrogenchloride / methanol / 2 h / 20 °C / Inert atmosphere 3: N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 2 h / 0 °C / Inert atmosphere 4: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 22 h / 0 - 20 °C / Inert atmosphere
Multi-step reaction with 4 steps 1: N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 20 h / 20 °C / Inert atmosphere 2: hydrogenchloride / methanol / 2 h / 20 °C / Inert atmosphere 3: N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 2 h / 0 °C / Inert atmosphere 4: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 22 h / 0 - 20 °C / Inert atmosphere
  • 47
  • [ 863028-98-2 ]
  • N-(5-(3,5-dimethoxybenzamido)-2-methylphenyl)-4-(methylamino)-2-(methylsulfonyl)pyrimidine-5-carboxamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 4 steps 1: N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 20 h / 20 °C / Inert atmosphere 2: hydrogenchloride / methanol / 2 h / 20 °C / Inert atmosphere 3: N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 2 h / 0 °C / Inert atmosphere 4: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 22 h / 0 - 20 °C / Inert atmosphere
Multi-step reaction with 4 steps 1: N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 20 h / 20 °C / Inert atmosphere 2: hydrogenchloride / methanol / 2 h / 20 °C / Inert atmosphere 3: N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 2 h / 0 °C / Inert atmosphere 4: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 22 h / 0 - 20 °C / Inert atmosphere
  • 48
  • [ 863028-98-2 ]
  • N-(2-methyl-5-(3,4,5-trimethoxybenzamido)phenyl)-4-(methylamino)-2-(methylsulfonyl)pyrimidine-5-carboxamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 4 steps 1: N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 20 h / 20 °C / Inert atmosphere 2: hydrogenchloride / methanol / 2 h / 20 °C / Inert atmosphere 3: N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 2 h / 0 °C / Inert atmosphere 4: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 22 h / 0 - 20 °C / Inert atmosphere
Multi-step reaction with 4 steps 1: N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate / N,N-dimethyl-formamide / 20 h / 20 °C / Inert atmosphere 2: hydrogenchloride / methanol / 2 h / 20 °C / Inert atmosphere 3: N-ethyl-N,N-diisopropylamine / tetrahydrofuran / 2 h / 0 °C / Inert atmosphere 4: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 22 h / 0 - 20 °C / Inert atmosphere
  • 50
  • [ 863028-98-2 ]
  • [ 18595-18-1 ]
  • methyl 4-methyl-3-(4-(methylamino)-2-(methylthio)pyrimidine-5-carboxamido)benzoate [ No CAS ]
YieldReaction ConditionsOperation in experiment
57% With N-ethyl-N,N-diisopropylamine; N-[(dimethylamino)-3-oxo-1H-1,2,3-triazolo[4,5-b]pyridin-1-yl-methylene]-N-methylmethanaminium hexafluorophosphate In N,N-dimethyl-formamide at 20℃; for 20h; Inert atmosphere;
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