Structure of 1309682-18-5
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CAS No. : | 1309682-18-5 |
Formula : | C14H14N4O |
M.W : | 254.29 |
SMILES Code : | OC1=C(C)C=C(C2=CN3C(C=C2)=NC(N)=N3)C=C1C |
* 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.
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
17% | With sodium t-butanolate;tris-(dibenzylideneacetone)dipalladium(0); 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; In 1-methyl-pyrrolidin-2-one; water; at 170℃; for 0.75h;Microwave irradiation; Sealed tube; | Example". .14-[6-(4-hydroxy-3,5-dimethylphenyl)[1 ,2,4]triazolo[1 ,5-a] pyridin-2- yl]amino}-3-methoxybenzonitrile0.18 mmol intermediate example 2.1 (0.45 ml_, 0.4M in NMP), 0.15 mmol 4- Bromo-3-methoxybenzonitrile (1 .44 mL, 0.5M in NMP, 4 eq), 0.018 mmol Pd2(dba)3 (0.180 mL, 0.1M in NMP, 0.1 eq), 0.036 mmol rac-BINAP (0.180 mL, 0.1M in NMP, 0.2 eq) and 0.3 mmol NaOtBu (0.188 mL, 1 .6M in water, 3 eq) were combined in a sealed vial and heated at 170 ° C under microwave irradiation for 45 min. After cooling, the solution was filtered and subjected to preparative HPLC to give 12.0 mg (17 percent) 4-[6-(4-hydroxy-3,5- dimethylphenyl)[1 ,2,4]triazolo[1 ,5-a]pyridin-2-yl]amino}-3- methoxybenzonitrile: 1 H-NMR (300 MHz, d6-DMSO): delta = 9.00 (1 H, s), 9.02 (1 H, s), 8.61 (1 H, s), 8.42 (1 H, d), 8.41 (1 H, s), 7.88 (1 H, d) 7.62 (1 H, d), 7.43 (1 H, d), 7.40 (1 H, s), 7.33 (2H, s), 3.90 (3H, s), 2.20 (6H, s) ppm. UPLC-MS: RT = 1 .23 min; m/z (ES+) 386.4 [MH+]; required MW = 385.4. |
17% | With 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; sodium t-butanolate;tris-(dibenzylideneacetone)dipalladium(0); In 1-methyl-pyrrolidin-2-one; at 170℃;Microwave irradiation; | 0.18 mmol intermediate example 2.1 (0.45 mL, 0.4M in NMP), 0.15 mmol 4-Bromo-3-methoxybenzonitrile (1.44 mL, 0.5M in NMP, 4 eq), 0.018 mmol Pd2(dba)3 (0.180 mL, 0.1M in NMP, 0.1 eq), 0.036 mmol rac-BINAP (0.180 mL, 0.1M in NMP, 0.2 eq) and 0.3 mmol NaOtBu (0.188 mL, 1.6M in water, 3 eq) were combined in a sealed vial and heated at 170 °C under microwave irradiation for 45 min.After cooling, the solution was filtered and subjected to preparative HPLC to give 12.0 mg (17 percent) 4-[6-(4-hydroxy-3,5-dimethylphenyl)[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino}-3-methoxybenzonitrile: 1H-NMR (300 MHz, d6-DMSO): delta = 9.00 (1 H, s), 9.02 (1 H, s), 8.61 (1 H, s), 8.42 (1 H, d), 8.41 (1 H, s), 7.88 (1 H, d) 7.62 (1 H, d), 7.43 (1 H, d), 7.40 (1H, s), 7.33 (2H, s), 3.90 (3H, s), 2.20 (6H, s) ppm. UPLC-MS: RT = 1.23 min; m/z (ES+) 386.4 [MH+]; required MW = 385.4. |
Tags: 1309682-18-5 synthesis path| 1309682-18-5 SDS| 1309682-18-5 COA| 1309682-18-5 purity| 1309682-18-5 application| 1309682-18-5 NMR| 1309682-18-5 COA| 1309682-18-5 structure
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