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[ CAS No. 91394-73-9 ] {[proInfo.proName]}

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Chemical Structure| 91394-73-9
Chemical Structure| 91394-73-9
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Product Details of [ 91394-73-9 ]

CAS No. :91394-73-9 MDL No. :MFCD01030655
Formula : C12H10BrNO2S Boiling Point : -
Linear Structure Formula :- InChI Key :PNTFBASRFYOFKZ-UHFFFAOYSA-N
M.W :312.18 Pubchem ID :262257
Synonyms :

Safety of [ 91394-73-9 ]

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 [ 91394-73-9 ]

* 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 [ 91394-73-9 ]

[ 91394-73-9 ] Synthesis Path-Downstream   1~24

  • 1
  • [ 91394-73-9 ]
  • [ 75-03-6 ]
  • [ 398151-69-4 ]
  • 2
  • [ 98-09-9 ]
  • [ 591-19-5 ]
  • [ 91394-73-9 ]
YieldReaction ConditionsOperation in experiment
85% for 0.1h; microwave irradiation;
With pyridine; acetone
With pyridine In dichloromethane for 0.5h;
Stage #1: m-Bromoaniline With pyridine In ethyl acetate for 0.166667h; Stage #2: benzenesulfonyl chloride In ethyl acetate
1.96 g With pyridine; dmap In dichloromethane at 0 - 20℃; for 2h; 9 Example 9: N-(3-Bromophenyl)benzenesulfonamide Pyridine (0.95 mL), N,N-dimethylaminopyridine (abbreviated as "DMAP", hereinafter) (72.4 mg) and benzenesulfonyl chloride (1.10 g) were added to a solution of 3-bromoaniline (1.02 g) in dichloromethane (20 mL) at 0° C., and the resultant solution was stirred at room temperature for 2 hours. The reaction solution was concentrated, and the resultant residue was then purified by silica gel column chromatography (hexane:ethyl acetate=9:1→2:1). In this manner, the title compound (1.96 g) having the physical property value shown below was produced. HPLC retention time (min): 0.98.

YieldReaction ConditionsOperation in experiment
With perchloric acid; N-chloro-3-methyl-2,6-diphenylpiperidin-4-one; acetic acid at 25℃;
  • 4
  • [ 91394-73-9 ]
  • [ 1377550-63-4 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; potassium acetate / 1,4-dioxane / 3 h / 90 °C / sealed tube 2: dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; triethylamine / water; N,N-dimethyl-formamide / 2 h / 20 - 85 °C
  • 6
  • [ 91394-73-9 ]
  • potassium vinyltrifluoroborate [ No CAS ]
  • C14H13NO2S [ No CAS ]
YieldReaction ConditionsOperation in experiment
With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; triethylamine In methanol Inert atmosphere; Reflux;
  • 7
  • [ 91394-73-9 ]
  • C30H31NO8S2 [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; triethylamine / methanol / Inert atmosphere; Reflux 2: [Ir(ppy)2bpy]PF6; potassium carbonate / acetonitrile / 9 h / 20 °C / Inert atmosphere; Irradiation
  • 8
  • [ 61266-70-4 ]
  • [ 91394-73-9 ]
  • N-(3-bromophenyl)-N-(oxetan-2-ylmethyl)benzenesulfonamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
381 mg With triphenylphosphine; diethylazodicarboxylate In tetrahydrofuran; toluene at 20℃; for 2h; 14 Example 14: N-(3-Bromophenyl)-N-(oxetan-2-ylmethyl)benzenesulfonamide Oxetan-2-ylmethanol (132 mg), triphenylphosphine (394 mg) and diethyl azodicarboxylate (a 40% toluene solution, 0.68 mL) were added a solution of the compound produced in Example 9 (313 mg) in THF (2 mL), and the resultant solution was stirred at room temperature for 2 hours. The reaction solution was purified by silica gel column chromatography (hexane:ethyl acetate=4:1→1:1). In this manner, the title compound (381 mg) having the physical property value shown below was produced. TLC: Rf 0.34 (hexane:ethyl acetate=2:1)
  • 9
  • [ 91394-73-9 ]
  • [ 78-95-5 ]
  • N-(3-bromophenyl)-N-(2-oxopropyl)benzenesulfonamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
1.10 g Stage #1: N-(3-bromophenyl)benzenesulfonamide With sodium hydride In N,N-dimethyl-formamide; mineral oil at 20℃; for 0.5h; Cooling with ice; Stage #2: chloroacetone In N,N-dimethyl-formamide; mineral oil at 20℃; for 4h; 17 Example 17: N-(3-Bromophenyl)-N-(2-oxopropyl)benzenesulfonamide Sodium hydride (60% in mineral oil, 141 mg) was added to a solution of the compound produced in Example 9 (1.00 g) in DMF (6 mL) under ice cooling, and the resultant solution was stirred at room temperature. After 30 minutes, chloroacetone (0.52 mL) was added to the solution, and was then stirred at room temperature for 4 hours. Water was added to the reaction solution, and the resultant solution was extracted with ethyl acetate. An organic layer was washed with saturated saline, was then dried over magnesium sulfate, and was then concentrated under a reduced pressure. The resultant residue was purified by silica gel column chromatography (hexane:ethyl acetate=80:20→50:50). In this manner, the title compound (1.10 g) having the physical property value shown below was produced. TLC: Rf 0.42 (hexane:ethyl acetate=2:1)
  • 10
  • [ 91394-73-9 ]
  • isopropyl 3-(2-(pent-4-yn-1-yl oxy)phenyl)propanoate [ No CAS ]
  • isopropyl 3-(2-((5-(3-(phenylsulfonamide)phenyl)pent-4-yn-1-yl)oxy)phenyl)propanoate [ No CAS ]
YieldReaction ConditionsOperation in experiment
1.57 g With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine In N,N-dimethyl-formamide at 60℃; 113 Example 113: Isopropyl 3-(2-((5-(3-(phenylsulfonamide)phenyl)pent-4-yn-1-yl)oxy)phenyl)propanoate Triethylamine (6 mL), bis(triphenylphosphine)palladium (II) dichloride (100 mg) and copper (I) iodide (50 mg) were added to a solution of the compound produced in Example 81 (1.5 g) and the compound produced in Example 9 (1.7 g) in DMF (6 mL), and the resultant solution was stirred at 60° C. overnight. Water was added to the reaction solution, then the resultant solution was extracted with ethyl acetate. An organic layer was washed with saturated saline, was then dried over magnesium sulfate, and was then concentrated under a reduced pressure. The resultant residue was purified by silica gel column chromatography (hexane: ethyl acetate=9:1→0:1). In this manner, the title compound (1.57 g) having the physical property value shown below was produced. TLC: Rf 0.39 (hexane:ethyl acetate=2:1).
  • 11
  • [ 91394-73-9 ]
  • isopropyl 3-(2-(pent-4-yn-1-yl oxy)phenyl)propanoate [ No CAS ]
  • isopropyl (Z)-3-(2-((5-(3-(phenylsulfonamide)phenyl)pent-4-en-1-yl)oxy)phenyl)propanoate [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: triethylamine; bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide / N,N-dimethyl-formamide / 60 °C 2: hydrogen; quinoline / ethyl acetate / 5 h / 20 °C
  • 12
  • [ 91394-73-9 ]
  • isopropyl (E)-3-(2-((5-(4,4,5,5-tetramethyl-1,3,2-dioxaboran-2-yl)pent-4-en-1-yl)oxy)phenyl)propanoate [ No CAS ]
  • isopropyl (E)-3-(2-((5-(3-(phenylsulfonamide)phenyl)pent-4-en-1-yl)oxy)phenyl)propanoate [ No CAS ]
YieldReaction ConditionsOperation in experiment
113 mg With potassium phosphate; chloro(2-dicyclohexylphosphino-2’,4’,6’-triisopropyl-1,1‘-biphenyl)[2-(2’-amino-1,1‘-biphenyl’)]palladium(II) In tetrahydrofuran; water at 60℃; for 1h; 83 Example 83: Isopropyl (E)-3-(2-((5-(3-(phenylsulfonamide)phenyl)pent-4-en-1-yl)oxy)phenyl)propanoate The compound produced in Example 9 (168 mg), chloro(2-dicyclohexylphosphino-2',4',6'-triisopropyl-1,1'-biphenyl)[2-(2'-amino-1,1'-biphenyl)]palladium (II) (0.035 g) and a 2-M aqueous tripotassium phosphate solution (0.67 mL) were added to a solution of the compound produced in Example 82 (180 mg) in THF (3 mL), and the resultant solution was stirred at 60° C. for 1 hour. The reaction solution was cooled to room temperature, water was then added to the solution, and the resultant solution was extracted with ethyl acetate. An organic layer was dried over sodium sulfate, and was then concentrated under a reduced pressure. The resultant residue was purified by silica gel column chromatography (hexane:ethyl acetate=7:1→2:1). In this manner, the title compound (113 mg) having the physical property value shown below was produced. HPLC retention time (min): 1.24.
  • 13
  • [ 91394-73-9 ]
  • isopropyl (R,E)-3-(2-((5-(4,4,5,5-tetramethyl-1,3,2-dioxaboran-2-yl)-3-((trimethylsilyl)oxy)pent-4-en-1-yl)oxy)phenyl)propanoate [ No CAS ]
  • propan-2-yl 3-[2-[(E,3R)-5-[3-(benzenesulfonamide)phenyl]-3-hydroxypent-4-enoxy]phenyl]propanoate [ No CAS ]
YieldReaction ConditionsOperation in experiment
1.41 g Stage #1: N-(3-bromophenyl)benzenesulfonamide; isopropyl (R,E)-3-(2-((5-(4,4,5,5-tetramethyl-1,3,2-dioxaboran-2-yl)-3-((trimethylsilyl)oxy)pent-4-en-1-yl)oxy)phenyl)propanoate With potassium phosphate; chloro(2-dicyclohexylphosphino-2’,4’,6’-triisopropyl-1,1‘-biphenyl)[2-(2’-amino-1,1‘-biphenyl’)]palladium(II); tetrabutyl ammonium fluoride In tetrahydrofuran; water at 60℃; for 2h; Stage #2: With tetrabutyl ammonium fluoride In tetrahydrofuran at 20℃; for 1h; 10 Example 10: Propan-2-yl 3-[2-[(E,3R)-5-[3-(benzenesulfonamide)phenyl]-3-hydroxypent-4-enoxy]phenyl]propanoate The compound produced in Example 9 (1.18 g), chloro(2-dicyclohexylphosphino-2',4',6'-triisopropyl-1,1'-biphenyl)[2-(2'-amino-1,1'-biphenyl)]palladium (II) (CAS Registry Number: 1310584-14-5) (0.30 g) and a 2-M aqueous tripotassium phosphate solution (5.7 mL) were added to a solution of the compound produced in Example 8 (2.00 g) in THF (18 mL), and the resultant solution was stirred at 60° C. for 2 hours. The reaction solution was cooled to room temperature, water was then added to the solution, and the resultant solution was extracted with ethyl acetate. An organic layer was dried over sodium sulfate, and was then concentrated under a reduced pressure. TBAF (a 1.0 M THF solution, 6.3 mL) was added to a solution of the resultant residue in THF (6 mL), and the solution was stirred at room temperature for 1 hour. Water was added to the reaction solution, and the resultant solution was extracted with ethyl acetate. An organic layer was dried over sodium sulfate, and was then concentrated under a reduced pressure. The resultant residue was purified by silica gel column chromatography (hexane:ethylacetate=9:1→2:1) In this manner, the title compound (1.41 g) having the physical property values shown below was produced. HPLC retention time (min): 1.10; 1H-NMR (CDCl3): δ 1.21, 2.05-2.17, 2.21, 2.57-2.61, 2.91-2.95, 4.11-4.19, 4.62, 5.02, 6.25, 6.55, 6.72, 6.85-6.91, 6.99, 7.09-7.22, 7.41-7.45, 7.53, 7.75-7.78.
  • 14
  • [ 91394-73-9 ]
  • 3-[2-[(E,3R)-5-[3-(benzenesulfonamide)phenyl]-3-hydroxypent-4-enoxy]phenyl]propanoic acid [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1.1: potassium phosphate; tetrabutyl ammonium fluoride; chloro(2-dicyclohexylphosphino-2’,4’,6’-triisopropyl-1,1‘-biphenyl)[2-(2’-amino-1,1‘-biphenyl’)]palladium(II) / tetrahydrofuran; water / 2 h / 60 °C 1.2: 1 h / 20 °C 2.1: lithium hydroxide; water / tetrahydrofuran; methanol / 18 h / 30 °C
  • 15
  • [ 91394-73-9 ]
  • N-(3-bromophenyl)-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1.1: sodium hydride / N,N-dimethyl-formamide; mineral oil / 0.5 h / 20 °C / Cooling with ice 1.2: 4 h / 20 °C 2.1: tetrahydrofuran / 20 °C / Cooling with ice
  • 16
  • [ 91394-73-9 ]
  • 3-[2-[(E,3R)-5-[3-(benzenesulfonamide)phenyl]-3-hydroxypent-4-enoxy]phenyl]propanamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1.1: potassium phosphate; tetrabutyl ammonium fluoride; chloro(2-dicyclohexylphosphino-2’,4’,6’-triisopropyl-1,1‘-biphenyl)[2-(2’-amino-1,1‘-biphenyl’)]palladium(II) / tetrahydrofuran; water / 2 h / 60 °C 1.2: 1 h / 20 °C 2.1: lithium hydroxide; water / tetrahydrofuran; methanol / 18 h / 30 °C 3.1: triethylamine; isobutyl chloroformate / tetrahydrofuran / 0.17 h / 0 °C / Cooling with ice 3.2: 0.5 h / 0 - 20 °C
  • 17
  • [ 91394-73-9 ]
  • isopropyl 3-(2-((3R)-3-hydroxy-3-(2-(3-(phenylsulfonamide)phenyl)cyclopropyl)propoxy)phenyl)propanoate [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1.1: potassium phosphate; tetrabutyl ammonium fluoride; chloro(2-dicyclohexylphosphino-2’,4’,6’-triisopropyl-1,1‘-biphenyl)[2-(2’-amino-1,1‘-biphenyl’)]palladium(II) / tetrahydrofuran; water / 2 h / 60 °C 1.2: 1 h / 20 °C 2.1: diethylzinc / dichloromethane; hexane / 1.5 h / 0 °C
  • 18
  • [ 91394-73-9 ]
  • 3-[2-[(3S)-5-[3-(benzenesulfonamide)phenyl]-3-hydroxypentoxy]phenyl]propanoic acid [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1.1: potassium phosphate; tetrabutyl ammonium fluoride; chloro(2-dicyclohexylphosphino-2’,4’,6’-triisopropyl-1,1‘-biphenyl)[2-(2’-amino-1,1‘-biphenyl’)]palladium(II) / tetrahydrofuran; water / 2 h / 60 °C 1.2: 1 h / 20 °C 2.1: lithium hydroxide; water / tetrahydrofuran; methanol / 18 h / 30 °C 3.1: 5%-palladium/activated carbon; hydrogen / methanol / 1 h / 20 °C
  • 19
  • [ 91394-73-9 ]
  • methyl (R,E)-3-(2-((3-hydroxy-5-(3-(phenylsulfonamide)phenyl)pent-4-en-1-yl)oxy)phenyl)propanoate [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1.1: potassium phosphate; tetrabutyl ammonium fluoride; chloro(2-dicyclohexylphosphino-2’,4’,6’-triisopropyl-1,1‘-biphenyl)[2-(2’-amino-1,1‘-biphenyl’)]palladium(II) / tetrahydrofuran; water / 2 h / 60 °C 1.2: 1 h / 20 °C 2.1: lithium hydroxide; water / tetrahydrofuran; methanol / 18 h / 30 °C 3.1: hexane; methanol / 0.5 h / 20 °C / Cooling with ice
  • 20
  • [ 91394-73-9 ]
  • methyl 3-[2-[(E)-5-[3-(benzenesulfonamide)phenyl]-3-oxopent-4-enoxy]phenyl]propanoate [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 4 steps 1.1: potassium phosphate; tetrabutyl ammonium fluoride; chloro(2-dicyclohexylphosphino-2’,4’,6’-triisopropyl-1,1‘-biphenyl)[2-(2’-amino-1,1‘-biphenyl’)]palladium(II) / tetrahydrofuran; water / 2 h / 60 °C 1.2: 1 h / 20 °C 2.1: lithium hydroxide; water / tetrahydrofuran; methanol / 18 h / 30 °C 3.1: hexane; methanol / 0.5 h / 20 °C / Cooling with ice 4.1: manganese(IV) oxide / dichloromethane / 20 h / 20 °C
  • 21
  • [ 91394-73-9 ]
  • 3-[2-[(E)-5-[3-(benzenesulfonamide)phenyl]pent-4-enoxy]phenyl]propanoic acid [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: potassium phosphate; chloro(2-dicyclohexylphosphino-2’,4’,6’-triisopropyl-1,1‘-biphenyl)[2-(2’-amino-1,1‘-biphenyl’)]palladium(II) / tetrahydrofuran; water / 1 h / 60 °C 2: lithium hydroxide; water / tetrahydrofuran; methanol / 8 h / 50 °C
  • 22
  • [ 91394-73-9 ]
  • 3-[2-[(E)-5-[3-(benzenesulfonamide)phenyl]pent-4-enoxy]phenyl]-N-methylsulfonylpropanamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: potassium phosphate; chloro(2-dicyclohexylphosphino-2’,4’,6’-triisopropyl-1,1‘-biphenyl)[2-(2’-amino-1,1‘-biphenyl’)]palladium(II) / tetrahydrofuran; water / 1 h / 60 °C 2: lithium hydroxide; water / tetrahydrofuran; methanol / 8 h / 50 °C 3: dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride / N,N-dimethyl-formamide / 23 h / 20 °C
  • 23
  • [ 91394-73-9 ]
  • N-[3-[(E)-5-[2-[2-(1H-1,2,4-triazol-5-yl)ethyl]phenoxy]pent-1-enyl]phenyl]benzenesulfonamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1.1: potassium phosphate; chloro(2-dicyclohexylphosphino-2’,4’,6’-triisopropyl-1,1‘-biphenyl)[2-(2’-amino-1,1‘-biphenyl’)]palladium(II) / tetrahydrofuran; water / 1 h / 60 °C 2.1: lithium hydroxide; water / tetrahydrofuran; methanol / 8 h / 50 °C 3.1: triethylamine; isobutyl chloroformate / tetrahydrofuran / 0.17 h / 20 °C / Cooling with ice 3.2: 0.5 h / 20 °C / Cooling with ice
  • 24
  • [ 91394-73-9 ]
  • methyl 3-(2-((4-hydroxy-5-(3-(phenylsulfonamide)phenyl)pentyl)oxy)phenyl)propanoate [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1.1: potassium phosphate; chloro(2-dicyclohexylphosphino-2’,4’,6’-triisopropyl-1,1‘-biphenyl)[2-(2’-amino-1,1‘-biphenyl’)]palladium(II) / tetrahydrofuran; water / 1 h / 60 °C 2.1: lithium hydroxide; water / tetrahydrofuran; methanol / 8 h / 50 °C 3.1: hexane; methanol; ethyl acetate / 20 °C 3.2: 5 h / 20 °C 3.3: 3 h / 20 °C
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