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[ CAS No. 261763-29-5 ]

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Chemical Structure| 261763-29-5
Chemical Structure| 261763-29-5
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Product Details of [ 261763-29-5 ]

CAS No. :261763-29-5 MDL No. :MFCD01631505
Formula : C7H6F2O2 Boiling Point : 217.9°C at 760 mmHg
Linear Structure Formula :- InChI Key :N/A
M.W :160.12 g/mol Pubchem ID :-
Synonyms :

Safety of [ 261763-29-5 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P233-P260-P261-P264-P270-P271-P280-P301+P312-P302+P352-P304-P304+P340-P305+P351+P338-P312-P321-P322-P330-P332+P313-P337+P313-P340-P362-P363-P403-P403+P233-P405-P501 UN#:N/A
Hazard Statements:H302-H312-H315-H319-H332-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 261763-29-5 ]

  • Downstream synthetic route of [ 261763-29-5 ]

[ 261763-29-5 ] Synthesis Path-Downstream   1~14

YieldReaction ConditionsOperation in experiment
A compound according to claim 2, wherein said substituted 2,3-difluorophenol is: ... 4-octyl-2,3-difluorophenol, 4-nonyl-2,3-difluorophenol, 4-decyl -2,3-difluorophenol, 4-heptyl-2,3-difluorophenol, 4-methoxy-2,3-difluorophenol, 4-propoxy -2,3-difluorophenol, 4-butoxy-2,3difluorophenol, 4-pentoxy-2,3-difluorophenol, ...
  • 2
  • [ 261763-29-5 ]
  • [ 1365243-95-3 ]
  • [ 1554458-53-5 ]
YieldReaction ConditionsOperation in experiment
65% A solution of 31 .9 g (199 mmol) 2,3-dif luoro-4-methoxyphenol in 450 mL of dimethylsulfoxide was treated with 7.96 g (199 mmol) of sodium hydride and stirred at room temperature for 1 hour. Then 16 g (33.2 mmol) of 4-{6-bromo- 8-[(3,3,3-trifluoropropyl)amino]imidazo[1 ,2-b]pyridazin-3-yl}-N-cyclopropyl-2- methylbenzamide, which was prepared according to intermediate example 31a, was added and the mixture was heated overnight at 130C. After cooling, 300 mL ethyl acetate were added and the organic phase is washed with water. After evaporation of the organic phase, the residue was triturated with 200 mL EtOH to give 12.05 g (65%) of the title compound. 1 H-NMR (DMS0-d6): delta= 0.47-0.53 (2H), 0.62-0.70 (2H), 2.11 (3H), 2.72 (2H), 2.80 (1 H), 3.64 (2H), 3.92 (3H), 6.22 (1 H), 7.12 (1 H), 7.18 (1 H), 7.27 (1 H), 7.63 (1 H), 7.72 (1 H), 7.75-7.81 (1 H), 7.97 (1 H), 8.24 (1 H) ppm.
65% A solution of 31.9 g (199 mmol) 2,3-difluoro-4-methoxyphenol in 450 mL of dimethylsulfoxide was treated with 7.96 g (199 mmol) of sodium hydride and stirred at room temperature for 1 hour. Then 16 g (33.2 mmol) of 4-{6-bromo-8- [(3,3,3-trifluoropropyl)amino]imidazo[1 ,2-b]pyridazin-3-yl}-N-cyclopropyl-2- methylbenzamide, which was prepared according to intermediate example 2a, was added and the mixture was heated overnight at 130C. After cooling, 300 mL ethyl acetate were added and the organic phase is washed with water. After evaporation of the organic phase, the residue was triturated with 200 mL EtOH to give 12.05 g (65%) of the title compound. 1 H-NMR (DMSO-d6): delta= 0.47-0.53 (2H), 0.62-0.70 (2H), 2.11 (3H), 2.72 (2H), 2.80 (1 H), 3.64 (2H), 3.92 (3H), 6.22 (1 H), 7.12 (1 H), 7.18 (1 H), 7.27 (1 H), 7.63 (1 H), 7.72 (1 H), 7.75-7.81 (1 H), 7.97 (1 H), 8.24 (1 H) ppm.
65% Compound A27 N^yclopropy l-4-{6-(2, 3 iif luoro-4-methoxyphenoxy )-8-[ (3, 3, 3- trifluoro ropyl)amino]imidazo[1 ,2-b]pyridazin-3-yl}-2-methylbenzami A solution of 31.9 g (199 mmol) 2,3-difluoro-4-methoxyphenol in 450 mL of dimethylsulfoxide was treated with 7.96 g (199 mmol) of sodium hydride and stirred at room temperature for 1 hour. Then 16 g (33.2 mmol) of 4-{6-bromo- 8-[(3,3,3-trifluoropropyl)amino]imidazo[1 ,2-b]pyridazin-3-yl}-N-cyclopropyl-2- methylbenzamide, which was prepared according to intermediate example 27a, was added and the mixture was heated overnight at 130C. After cooling, 300 mL ethyl acetate were added and the organic phase is washed with water. After evaporation of the organic phase, the residue was triturated with 200 mL ethanol to give 12.05 g (65%) of the title compound. 1 H-NMR (DMSO-d6): delta= 0.47-0.53 (2H), 0.62-0.70 (2H), 2.11 (3H), 2.72 (2H), 2.80 (1 H), 3.64 (2H), 3.92 (3H), 6.22 (1 H), 7.12 (1 H), 7.18 (1 H), 7.27 (1 H), 7.63 (1 H), 7.72 (1 H), 7.75-7.81 (1 H), 7.97 (1 H), 8.24 (1 H) ppm.
  • 3
  • [ 67-56-1 ]
  • [ 261763-29-5 ]
  • [ 1600530-19-5 ]
YieldReaction ConditionsOperation in experiment
85% Stage #1: methanol; 2,3-difluoro-4-methoxy-phenol at 0℃; for 0.166667h; Stage #2: With [bis(acetoxy)iodo]benzene for 1h;
  • 4
  • [ 261763-29-5 ]
  • [ 1600530-34-4 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1.1: 0.17 h / 0 °C 1.2: 1 h 2.1: N,N'-Dimethylhydrazine dihydrochloride / acetonitrile / 0.5 h / Reflux
  • 5
  • [ 134364-69-5 ]
  • [ 261763-29-5 ]
  • 6
  • (2,3-difluoro-4-methoxyphenyl)boronic acid [ No CAS ]
  • [ 261763-29-5 ]
YieldReaction ConditionsOperation in experiment
90.1% Stage #1: (2,3-difluoro-4-methoxyphenyl)boronic acid With dihydrogen peroxide at 20 - 25℃; for 2h; Stage #2: With hydrogenchloride In water 1.2 second step:In the previous water phase system, start stirring to control the temperature at 20-25 and add 38.0% hydrogen peroxide 68.0g (0.6mol) dropwiseAfter the dropwise addition, the temperature was kept for 2.0 hours.Sample delivery liquid detection2,3-difluoro-4-methoxybenzeneboronic acidLess than 0.2%. After the reaction,36.5% hydrochloric acid to adjust pH = 6-7, suction filtration to obtain crude product,The crude product was distilled to obtain 2,3-difluoro-4-methoxyphenol 57.3g (0.36mol), the yield was 90.1%,The purity is 99.97%.The maximum impurity in gas phase detection is 35ppm.
  • 7
  • [ 261763-29-5 ]
  • 2-chloro-9-(tetrahydro-2H-pyran-2-yl)-N-((tetrahydro-2H-pyran-4-yl)methyl)-9H-purin-6-amine [ No CAS ]
  • 2-(2,3-difluoro-4-methoxyphenoxy)-9-(tetrahydro-2H-pyran-2-yl)-N-((tetrahydro-2H-pyran-4-yl)methyl)-9H-purin-6-amine [ No CAS ]
YieldReaction ConditionsOperation in experiment
78 mg With tris-(dibenzylideneacetone)dipalladium(0); caesium carbonate; tert-butyl XPhos In toluene at 120℃; for 12h; Inert atmosphere; 2.1 Step 1: 2-(2,3-difluoro-4-methoxyphenoxy)-9-(tetrahydro-2H-pyran-2-yl)-N-((tetrahydro-2H-pyran -4-yl)methyl)-9H-purin-6-amine (Compound 19-1) Compound 1-3 (70.2mg, 0.2mmol), 2,3-difluoro-4-methoxyphenol (40mg, 0.24mmol), Pd2(dba)3 (18.3mg, 0.02mmol), di-tBuxphos( 17mg, 0.04mmol) and Cs2CO3 (130.3mg, 0.4mmol) were added to toluene (5mL), protected by nitrogen, and reacted at 120°C for 12 hours. Cool to room temperature, add water, extract with ethyl acetate, combine the organic phases it was dried over anhydrous sodium sulfate, and the concentrated residue was purified by column chromatography to obtain 78 mg of the title compound.
  • 8
  • [ 261763-29-5 ]
  • 2-chloro-N-methyl-9-(tetrahydro-2H-pyran-2-yl)-N-((tetrahydro-2H-pyran-4-yl)methyl)-9H-purin-6-amine [ No CAS ]
  • 2-(2,3-difluoro-4-methoxyphenoxy)-9-(tetrahydro-2H-pyran-2-yl)-N-(methyl((tetrahydro-2H-pyran-4-yl)methyl))-9H-purin-6-amine [ No CAS ]
YieldReaction ConditionsOperation in experiment
81 mg With tris-(dibenzylideneacetone)dipalladium(0); caesium carbonate; tert-butyl XPhos In toluene at 120℃; for 12h; Inert atmosphere; 4.2 Step 2: 2-(2,3-difluoro-4-methoxyphenoxy)-9-(tetrahydro-2H-pyran-2-yl)-N-(methyl((tetrahydro-2H -Pyran-4-yl)methyl))-9H-purin-6-amine (compound 16-2) Compound 16-1 (73.2mg, 0.2mmol), 2,3-difluoro-4-methoxyphenol (40mg, 0.24mmol), Pd2(dba)3 (18.3mg, 0.02mmol), di-tBuxphos( 17mg, 0.04mmol) and Cs2CO3 (130.3mg, 0.4mmol) were added to toluene (5mL), protected by nitrogen, and reacted at 120°C for 12 hours. Cooled to room temperature, added water, extracted with ethyl acetate, combined the organic phases, dried over anhydrous sodium sulfate, and the concentrated residue was purified by column chromatography to obtain 81 mg of the title compound.
  • 9
  • [ 261763-29-5 ]
  • 2-chloro-9-(tetrahydro-2H-pyran-2-yl)-N-(tetrahydro-2H-pyran-4-yl)-9H-purin-6-amine [ No CAS ]
  • 2-(2,3-difluoro-4-methoxyphenoxy)-9-(tetrahydro-2H-pyran-2-yl)-N-(tetrahydro-2H-pyran-4-yl)-9H-purin-6-amine [ No CAS ]
YieldReaction ConditionsOperation in experiment
73 mg With tris-(dibenzylideneacetone)dipalladium(0); caesium carbonate; tert-butyl XPhos In toluene at 120℃; for 12h; Inert atmosphere; 5.2 Step 2: 2-(2,3-difluoro-4-methoxyphenoxy)-9-(tetrahydro-2H-pyran-2-yl)-N-(tetrahydro-2H-pyran- 4-yl)-9H-purin-6-amine (Compound 25-2) Compound 25-1 (67.4mg, 0.2mmol), 2,3-difluoro-4-methoxyphenol (40mg, 0.24mmol), Pd2(dba)3 (18.3mg, 0.02mmol), di-tBuxphos (17mg, 0.04mmol), Cs2CO3 (130.3mg, 0.4mmol) was added to toluene (5mL), protected by nitrogen, and reacted at 120 °C for 12 hours. Cooled to room temperature, added water, extracted with ethyl acetate, combined the organic phases, dried over anhydrous sodium sulfate, and the concentrated residue was purified by column chromatography to obtain 73 mg of the title compound.
  • 10
  • [ 261763-29-5 ]
  • 2-chloro-N-propyl-9-(tetrahydro-2H-pyran-2-yl)-9H-purin-6-amine [ No CAS ]
  • N-propyl-2-(2,3-difluoro-4-methoxyphenoxy)-9-(tetrahydro-2H-pyran-2-yl)-9H-purine-6-amine [ No CAS ]
YieldReaction ConditionsOperation in experiment
80 mg With tris-(dibenzylideneacetone)dipalladium(0); caesium carbonate; tert-butyl XPhos In toluene at 120℃; for 12h; Inert atmosphere; 6.2 Step 2: N-propyl-2-(2,3-difluoro-4-methoxyphenoxy)-9-(tetrahydro-2H-pyran-2-yl)-9H-purine-6- Amine (Compound 26-2) Compound 1-3 (60mg, 0.2mmol), 2,3-difluoro-4-methoxyphenol (40mg, 0.24mmol), Pd2(dba)3 (18.3mg, 0.02mmol), di-tBuxphos (17mg , 0.04mmol), Cs2CO3 (130.3mg, 0.4mmol) were added to toluene (5mL), protected by nitrogen, and reacted at 120 °C for 12 hours. Cool to room temperature, add water, extract with ethyl acetate, combine the organic phases, dry with anhydrous sodium sulfate, and purify the concentrated residue by column chromatography to obtain 80 mg of the title compound.
  • 11
  • [ 261763-29-5 ]
  • ((R)-6-((5R,7S)-2-oxo-3-oxa-1-azaspiro[4.4]nonan-7-yl)-1,2,3,4-tetrahydronaphthalen-2-yl)methyl 4-methylbenzenesulfonate [ No CAS ]
  • ((1R,3S)-1-amino-3-((R)-6-((2,3-difluoro-4-methoxyphenoxy)methyl)-5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentyl)methanol [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: potassium <i>tert</i>-butylate / tetrahydrofuran / 16 h / 0 - 70 °C / Inert atmosphere 2: alkali metal hydroxide / 1,4-dioxane; water / 16 h / 90 °C / Inert atmosphere
  • 12
  • [ 261763-29-5 ]
  • ((R)-6-((5R,7S)-2-oxo-3-oxa-1-azaspiro[4.4]nonan-7-yl)-1,2,3,4-tetrahydronaphthalen-2-yl)methyl 4-methylbenzenesulfonate [ No CAS ]
  • C25H27F2NO4 [ No CAS ]
YieldReaction ConditionsOperation in experiment
With potassium <i>tert</i>-butylate In tetrahydrofuran at 0 - 70℃; for 16h; Inert atmosphere;
  • 13
  • [ 261763-29-5 ]
  • methyl (4-(4-methyl-3-pentenyl)-3-cyclohexenyl)-4-methylbenzenesulfonate [ No CAS ]
  • 2,3-difluoro-1-methoxy-4-((4-(-methyl-3-pentenyl)-3-cyclohexenyl)methoxy)benzene [ No CAS ]
YieldReaction ConditionsOperation in experiment
5 g Stage #1: 2,3-difluoro-4-methoxy-phenol With potassium carbonate In N,N-dimethyl-formamide at 65℃; for 0.5h; Inert atmosphere; Stage #2: methyl (4-(4-methyl-3-pentenyl)-3-cyclohexenyl)-4-methylbenzenesulfonate In N,N-dimethyl-formamide at 100℃; for 0.5h; Inert atmosphere; 1.3 Step 3. Preparation of 2,3-difluoro-1-methoxy-4-((4-(4-methyl-3-pentenyl)-3-cyclohexenyl)methoxy)benzene A 250ml three-necked flask, equipped with a thermometer, mechanically stirred, and vented with nitrogen, add 16g of 2,3-difluoro-4-methoxyphenol to the system, 27.6g potassium carbonate, 50ml DMF, adjust the pH to 9 - 11, heat to about 65 °C, after about 0.5h, Add a mixture of 34.85g of the sulfonate obtained in step 2 and 70ml DMF in batches, and react at 100°C for 0.5h. The reaction was stopped, the temperature was lowered, ethyl acetate and water were added to the system for layered extraction, and the organic phases were combined. Wash with water until it is neutral, dry with anhydrous magnesium sulfate, filter and concentrate to remove the solvent to obtain 23 g of oil. Dilute the n-hexane through the separation column, collect the product, and then dry it through methanol recrystallization to obtain 5g of liquid with a content of 99.85% or more 2,3-difluoro-1-methoxy-4-((4-(4-methyl-3-pentenyl)-3-cyclohexenyl)methoxy)benzene.
  • 14
  • [ 536-57-2 ]
  • [ 261763-29-5 ]
  • 2,3-difluoro-5-tosylbenzene-1,4-diol [ No CAS ]
YieldReaction ConditionsOperation in experiment
42% With lithium perchlorate In acetonitrile at 20℃; for 6h; Electrochemical reaction; Inert atmosphere;
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