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[ CAS No. 1010836-19-7 ]

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Chemical Structure| 1010836-19-7
Chemical Structure| 1010836-19-7
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Product Details of [ 1010836-19-7 ]

CAS No. :1010836-19-7 MDL No. :MFCD08064045
Formula : C11H15BO4S Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W :254.11 g/mol Pubchem ID :-
Synonyms :

Safety of [ 1010836-19-7 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P330-P363-P501 UN#:
Hazard Statements:H302-H312-H332 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 1010836-19-7 ]

  • Downstream synthetic route of [ 1010836-19-7 ]

[ 1010836-19-7 ] Synthesis Path-Downstream   1~3

  • 1
  • [ 1010836-19-7 ]
  • [ 1010835-85-4 ]
  • [ 1010836-20-0 ]
YieldReaction ConditionsOperation in experiment
100% With sodium carbonate In 1,4-dioxane; water at 110℃; for 8h; 102.1 EXAMPLE 102 4-[2-tert-Butyl-1-(tetrahydropyran-4-ylmethyl)-1H-imidazol-4-yl]-N-ethyl-N-methylthiophene-2-carboxamide (Compound 102) Step 1; Compound u (70 mg, 0.20 mmol) obtained in Reference example 21 was dissolved in dioxane (2 mL) and water (1 mL), and 2-carboxythiophene-4-boronic acid pinacol ester (91 mg, 0.36 mmol), 1,1'-bis(diphenylphosphino)ferrocene-dichloropalladium/dichloromethane 1:1 adduct (12 mg, 0.01 mmol), and sodium carbonate (64 mg, 0.60 mmol) were added thereto, and then, the mixture was stirred at 110°C for 8 hours. After the mixture was left to cool to room temperature, water (5 mL) was added thereto, and the pH of the mixture was adjusted to 7.0 with 1 mol/L hydrochloric acid. The mixture was purified by HP-20 resin column chromatography (eluted with water and then with methanol) to give 4-[2-tert-butyl-1-(tetrahydropyran-4-ylmethyl)-1H-imidazol-4-yl]-thiophene-2-carboxylic acid (120 mg, 0.18 mmol, yield: quantitative).
  • 2
  • [ 1010836-19-7 ]
  • C22H27BrFN3O3 [ No CAS ]
  • C27H30FN3O5S [ No CAS ]
YieldReaction ConditionsOperation in experiment
57% With dichloro[1,1'-bis(di-t-butylphosphino)ferrocene]palladium(II); caesium carbonate In N,N-dimethyl-formamide at 70℃; for 1h; Inert atmosphere; 31.1 Synthesis of Example 31 Step1: Intennediate l-2.4 (48.04 mg, 0.1 mmol) is dissolved in DMF (1.0 mL) and 2-carboxythiophene-4-boronic acid pinacol-ester (38.2 mg, 0.15 mmol), aq. 2 molar Cs2C0 3-solution(1 00 ~tL, 0.2 mmol) and 1, 1'-Bis(di-tert-butylphosphino)ferrocene palladium dichloride (6.52 mg,0.01 mmol) are added quickly. The reaction mixture is degassed with argon and shaken in a closed5 vial at 70 °C for l hour. The reaction mixture is diluted with ethyl acetate and extracted with water3 times. The organic phase is dried and evaporated the crude intermediate is purified by reversedphase HPLC. Yield 57%, m/z 428 [M-Boc+H]+, rt 0.92 min, LC-MS Method Z018_S04.
57% With dichloro[1,1′-bis[bis(1,1-dimethylethyl)phosphino]ferrocene-P,P′]palladium; caesium carbonate In water; N,N-dimethyl-formamide at 70℃; for 1h; Inert atmosphere; Sealed tube; 31.1 Step 1: Intermediate I-2.4 (48.04 mg, 0.1 mmol) is dissolved in DMF (1.0 mL) and 2-carboxythiophene-4-boronic acid pinacol-ester (38.2 mg, 0.15 mmol), aq. 2 molar Cs2CO3-solution (100 μL, 0.2 mmol) and 1,1′-Bis(di-tert-butylphosphino)ferrocene palladium dichloride (6.52 mg, 0.01 mmol) are added quickly. The reaction mixture is degassed with argon and shaken in a closed vial at 70° C. for 1 hour. The reaction mixture is diluted with ethyl acetate and extracted with water 3 times. The organic phase is dried and evaporated the crude intermediate is purified by reversed phase HPLC. Yield 57%, m/z 428 [M-Boc+H]+, rt 0.92 min, LC-MS Method Z018_S04.
  • 3
  • [ 1010836-19-7 ]
  • [ 1273189-69-7 ]
  • 4-(7-(tert-butoxycarbonyl(cyclopropyl)amino)-3-formylpyrazolo[1,5-a]pyrimidin-5-yl)thiophene-2-carboxylic acid [ No CAS ]
YieldReaction ConditionsOperation in experiment
74% With sodium carbonate In acetonitrile at 100℃; for 1.5h; Inert atmosphere; 162 Synthesis of 4-(7-(tert-butoxycarbonyl(cyclopropyl)amino)-3-formylpyrazolo[1,5-a]pyrimidin-5-yl)thiophene-2-carboxylic acid Example 162 Synthesis of 4-(7-(tert-butoxycarbonyl(cyclopropyl)amino)-3-formylpyrazolo[1,5-a]pyrimidin-5-yl)thiophene-2-carboxylic acid Tert-butyl 5-chloro-3-formylpyrazolo[1,5-a]pyrimidine-7-yl)(cyclopropyl)carbamate (0.5 g, 1.48 mmol) and commercially available (Combi-Blocks) 2-carboxythiophene-4-boronic acid pinacol ester (754 mg, 2.97 mmol) were dissolved in acetonitrile. 2M Na2CO3 (1 mL) was added and the solution was degassed with a stream of N2 for 10 min. PdCl2dppf.CH2Cl2 (60 mg, 0.07 mmol) was added and the reaction was heated to 100° C. for 1.5 h. The solution was diluted with 1.5N NaOH (80 mL) and filtered over celite. The pH of the filtrate was adjusted to pH=3 by the addition of 6M HCl. The resulting precipitate was filtered and dried in vacuo to afford 4-(7-(tert-butoxycarbonyl(cyclopropyl)amino)-3-formylpyrazolo[1,5-a]pyrimidin-5-yl)thiophene-2-carboxylic acid (473 mg, 74%) as a tan solid. LCMS (ES): >90% pure, m/z 429 [M+1]+.
74% With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; sodium carbonate In acetonitrile at 100℃; for 1.5h; Inert atmosphere; 162 Synthesis of 4-(7-(tert-butoxycarbonyl(cyclopropyl)amino)-3-formylpyrazolo[1,5-a]pyrimidin-5-yl)thiophene-2-carboxylic acid Tert-butyl 5-chloro-3-formylpyrazolo[1,5-a]pyrimidine-7-yl)(cyclopropyl)carbamate (0.5 g, 1.48 mmol) and commercially available (Combi-Blocks) 2-carboxythiophene-4-boronic acid pinacol ester (754 mg, 2.97 mmol) were dissolved in acetonitrile. 2M Na 2CO 3 (1 mL) was added and the solution was degassed with a stream of N 2 for 10 min. PdCl 2dppf.CH 2Cl 2 (60 mg, 0.07 mmol) was added and the reaction was heated to 100° C. for 1.5 h. The solution was diluted with 1.5N NaOH (80 mL) and filtered over celite. The pH of the filtrate was adjusted to pH=3 by the addition of 6M HCl. The resulting precipitate was filtered and dried in vacuo to afford 4-(7-(tert-butoxycarbonyl(cyclopropyl)amino)-3-formylpyrazolo[1,5-a]pyrimidin-5-yl)thiophene-2-carboxylic acid (473 mg, 74%) as a tan solid.
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