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[ CAS No. 116228-41-2 ]

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Chemical Structure| 116228-41-2
Chemical Structure| 116228-41-2
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Product Details of [ 116228-41-2 ]

CAS No. :116228-41-2 MDL No. :MFCD06080375
Formula : C10H9BrN2O2S Boiling Point : -
Linear Structure Formula :- InChI Key :N/A
M.W :301.16 g/mol Pubchem ID :-
Synonyms :

Safety of [ 116228-41-2 ]

Signal Word:Danger Class:6.1
Precautionary Statements:P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501 UN#:2811
Hazard Statements:H301-H311-H331 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 116228-41-2 ]

  • Downstream synthetic route of [ 116228-41-2 ]

[ 116228-41-2 ] Synthesis Path-Downstream   1~11

  • 1
  • [ 2075-45-8 ]
  • [ 98-59-9 ]
  • [ 116228-41-2 ]
YieldReaction ConditionsOperation in experiment
98% With sodium hydroxide In dichloromethane at 20℃; for 24h;
98% With sodium hydroxide In dichloromethane at 0 - 20℃;
73% With triethylamine In dichloromethane at 20℃; for 3h; 4.1.12. 4-Bromp-1-tosyl-1H-pyrazole (30) TEA (380.0 μl, 2.72 mmol) was added to 4-bromo pyrazole (29) (200.0 mg, 1.36 mmol) in DCM. Then, p-toluene sulfonyl chloride (260.0 mg, 1.36 mmol) was added to the reaction mixture. After the reaction mixture was stirred for 3 h at room temperature, it was partitioned between ethyl acetate (2 × 40 mL) and NaHCO3 (aq) (40 mL). The combined organic layers were dried over MgSO4 and were concentrated. It was purified by silica gel column chromatography (hexane:ethylacetate = 25:1) to give 30 (290.0 mg). Yield: 73%; 1H NMR (300 MHz, CDCl3) δ (ppm) 8.11 (s, 1H), 7.91 (d, J = 8.4 Hz, 2H), 7.65 (s, 1H), 7.37 (d, J = 7.8 Hz, 2H), 2.44 (s, 3H); ESI [M + H] = 302.8.
70% In pyridine for 2h; Heating;
63% Stage #1: 4-bromo-1H-pyrazole With sodium hydride In tetrahydrofuran; mineral oil at 20℃; for 0.5h; Stage #2: p-toluenesulfonyl chloride In tetrahydrofuran; mineral oil at 20℃; for 12h;

  • 2
  • [ 2075-45-8 ]
  • [ 1153-45-3 ]
  • [ 116228-41-2 ]
YieldReaction ConditionsOperation in experiment
With potassium chloride In ethanol; water at 25℃;
  • 3
  • [ 1153-45-3 ]
  • 4-bromoimidazolate ion [ No CAS ]
  • [ 116228-41-2 ]
YieldReaction ConditionsOperation in experiment
With potassium chloride In ethanol; water at 25℃;
  • 4
  • [ 116228-41-2 ]
  • [ 98-80-6 ]
  • [ 852471-30-8 ]
YieldReaction ConditionsOperation in experiment
77% With tetrakis(triphenylphosphine) palladium(0); potassium carbonate In 1,2-dimethoxyethane for 24h; Heating;
77% With potassium carbonate In 1,2-dimethoxyethane; water for 24h; Heating;
74% With tetrakis(triphenylphosphine) palladium(0); sodium carbonate In 1,4-dioxane; water at 150℃; for 0.333333h; Microwave irradiation;
  • 5
  • [ 1258430-82-8 ]
  • [ 116228-41-2 ]
  • [ 1258429-98-9 ]
YieldReaction ConditionsOperation in experiment
50% With sodium hydroxide In N,N-dimethyl-formamide at 150℃; for 1h; Inert atmosphere; Microwave irradiation; V.A.27 27. Compound 27: l'-Cyclobutyl-5-(lH-pyrazol-4-yl)-3H- spiro[benzofuran-2,4'-piperidine][00330] Intermediate 1-7 (100 mg, 0.27 mmol), 4-bromo-l-tosyl-lH-pyrazole (98 mg, 0.33 mmol), PdCl2(dppf) (22 mg, 0.03 mmol) and NaOH (33 mg, 0.81 mmol) was dissolved in DMF (4 mL) and the mixture was degassed by bubbling N2. The reaction mixture was stirred at 1500C under microwave for 1 hr. The solids were filtered, ethyl acetate was added to the filtrate and the filtrate was washed with water. The combined organic layers were dried over sodium sulfate, the solids were filtered and the filtrate was concentrated. The crude reaction mixture was purified silica gel chromatography to give 27 (42 mg, 50%). 1U NMR (400 MHz, CD3OD) δ: 1.79-1.85 (m, 2H), 2.05-2.18 (m, 4H), 2.26-2.37 (m, 4H), 3.01-3.17 (m, 4H), 3.37-3.47 (m, 2H), 3.62-3.74 (m, IH), 6.78 (d, /=8.0Hz, IH), 7.41 (d, /=8.0Hz, IH), 7.50 (s, IH), 8.52 (s, IH). MS (ESI): m/z 310.1 (M+H) +.
  • 6
  • [ 292638-85-8 ]
  • [ 116228-41-2 ]
  • [ 1310452-50-6 ]
YieldReaction ConditionsOperation in experiment
38% Stage #1: acrylic acid methyl ester; 4-bromo-1H-pyrazol-1-yl(4-methylphenyl)sulfone With palladium diacetate; triethylamine; tris-(o-tolyl)phosphine; lithium chloride In N,N-dimethyl-formamide at 140℃; Stage #2: With sodium hydrogencarbonate In water; ethyl acetate; N,N-dimethyl-formamide 4.1.13. (E)-3-(1H-pyrazol-4-yl)acrylic acid (31) To a solution of 30 (200.0 mg, 0.66 mmol) in DMF was added methyl acrylate (22) (297.4 μl, 3.30 mmol), TEA (184.0 μl, 1.32 mmol), palladium (II) acetate (29.6 mg, 0.13 mmol), LiCl (28.0 mg, 0.66 mmol), and tri-ortho-tolyl phosphine (200.9 mg, 0.66 mmol). After the reaction mixture was stirred for overnight at 140 °C it was partitioned between ethyl acetate (2 × 40 mL) and NaHCO3 (aq) (40 mL). The combined organic layers were dried over MgSO4, concentrated and purified by silica gel chromatography (hexane:ethylacetate = 5:1, 38.2 mg, 38%). The purified compound (38.0 mg, 0.25 mmol) was stirred with 5% sodium hydroxide in methanol (2 mL) for 4 h at room temperature. The reaction mixture was neutralized by 1 N HCl. After removal of neutralized water, the residue was dissolved with chloroform:methanol 5:1 and stirred for a while. The reaction mixture was evaporated and purified by silica gel column chromatography (hexane:ethylacetate = 4:1) to give 31 (28.0 mg).
  • 7
  • [ 629-27-6 ]
  • [ 116228-41-2 ]
  • 4-octyl-1-tosyl-1H-pyrazole [ No CAS ]
YieldReaction ConditionsOperation in experiment
72% With pyridine; nickel(II) iodide hydrate; Tetrakis(dimethylamino)ethylen; 4,4'-di-tert-butyl-2,2'-bipyridine; sodium iodide In acetonitrile at 60℃; for 24h; Glovebox;
  • 8
  • [ 116228-41-2 ]
  • [ 6126-10-9 ]
YieldReaction ConditionsOperation in experiment
With pyridine; manganese; sodium iodide In N,N-dimethyl acetamide at 60℃; for 6h;
  • 9
  • [ 78878-05-4 ]
  • [ 116228-41-2 ]
  • 4-(3-((tert-butyldimethylsilyl)oxy)propyl)-1-tosyl-1H-pyrazole [ No CAS ]
YieldReaction ConditionsOperation in experiment
58% With pyridine; nickel(II) iodide hydrate; Tetrakis(dimethylamino)ethylen; 4,4'-di-tert-butyl-2,2'-bipyridine; sodium iodide In acetonitrile at 60℃; for 24h; Glovebox;
  • 10
  • [ 288-13-1 ]
  • [ 824-79-3 ]
  • [ 116228-41-2 ]
YieldReaction ConditionsOperation in experiment
66% With N-Bromosuccinimide In ethyl acetate at 25℃; for 12h; General procedure for the synthesis of products 5 General procedure: Pyrazoles 4 (0.5 mmol), sodium sulfinate 2 (1.0 mmol) and NBS or NIS (1.5 mmol) were dissolved in 2 mL of EtOAc solvent. the reaction mixture was stirred at room temperature under air for 12 h. After the reaction, the resulting mixture was extracted with EtOAc. The combined organic phase was dried over anhydrous Na2SO4 and the solvent was then removed under vacuum. The residue was purified by flash column chromatography on silica gel (petroleum ether/ethyl acetate, 3:1) to afford the corresponding product.
  • 11
  • [ 637-59-2 ]
  • [ 116228-41-2 ]
  • 4-(3-phenylpropyl)-1-tosyl-1H-pyrazole [ No CAS ]
YieldReaction ConditionsOperation in experiment
58% With (1,2-dimethoxyethane)dichloronickel(II); pyridine-2,6-bis(carboximidamide) dihydrochloride; sodium iodide In N,N-dimethyl acetamide at 65℃; Inert atmosphere; Electrochemical reaction;
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