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[ CAS No. 66735-01-1 ] {[proInfo.proName]}

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Chemical Structure| 66735-01-1
Chemical Structure| 66735-01-1
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Product Details of [ 66735-01-1 ]

CAS No. :66735-01-1 MDL No. :MFCD12152839
Formula : C10H11BrO2 Boiling Point : -
Linear Structure Formula :- InChI Key :KIXVFBKJEAPPAR-UHFFFAOYSA-N
M.W : 243.10 Pubchem ID :21714191
Synonyms :

Safety of [ 66735-01-1 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 66735-01-1 ]

* 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 [ 66735-01-1 ]

[ 66735-01-1 ] Synthesis Path-Downstream   1~15

YieldReaction ConditionsOperation in experiment
entspr. α-Benzyl-α-methylmalonat IXg, 1) alkal. Hydrolyse, 2) Decarboxylierung (Δ=200grad);
58.ii EXAMPLE 58 (ii) A solution of sodium hydroxide (175 g) in water (800 ml) was added to a solution of diethyl (4-bromophenyl)methylmalonate (150 g) in ethanol (850 ml) and the mixture was heated under reflux for 9 hours. Volatile material was removed by evaporation and the residue was dissolved in a solution of sodium hydroxide (130 g) in water (250 ml). The solution was heated under reflux for 2.5 hours, filtered through a bed of diatomaceous earth and the filtrate was acidified with 6M sulphuric acid. The mixture was extracted with ether (4*500 ml) and the extracts were dried (MgSO4). The solution was concentrated and the residue was heated at 200° C. until evolution of carbon dioxide ceased. The residue was dissolved in 1M sodium hydroxide solution (500 ml) and the solution was acidified with 6M sulphuric acid. The mixture was extracted with ether (4*500 ml) and the extracts were dried (MgSO4). The solvent material was removed by evaporation to give 3-(4-bromophenyl)-2-methylpropionic acid (91 g), m.p. 72°-73° C.; 1 H NMR (d6 -DMSO): 1.0 (d, 3 H), 2.05-2.15 (m, 2 H), 2.85-2.9 (m, 1 H), 7.1 (d, 2 H), 7.4 (d, 2 H).
  • 2
  • [ 66735-01-1 ]
  • [ 7440-44-0 ]
  • [ 124-68-5 ]
  • N-(1-hydroxy-2-methylpropan-2-yl)-3-(4-bromophenyl)-2-methylpropionamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
With thionyl chloride In dichloromethane; water; toluene 58.iii EXAMPLE 58 (iii) 3-(4-Bromophenyl)-2-methylpropionic acid (40 g) was finely divided and added portionwise over 30 minutes to thionyl chloride (75 ml). The mixture was stirred for 48 hours and then toluene (300 ml) was added. Volatile material was removed by evaporation and the residue was redissolved in toluene (300 ml). The solution was treated with charcoal and concentrated. The residual oil (36.6 g) was dissolved in dichloromethane (150 ml) and the solution was added dropwise over 1 hour to a solution of 2-amino-2-methylpropanol (25 g) in dichloromethane (300 ml) and toluene (300 ml) at -20° C. The mixture was stirred for 17 hours and water (300 ml) was added. The organic layer was separated, dried (MgSO4) and concentrated. The residue was recrystallized from ethyl acetate to give N-(1-hydroxy-2-methylpropan-2-yl)-3-(4-bromophenyl)-2-methylpropionamide (34.4 g), m.p. 120°-121° C.; microanalysis found: C, 53.9; H, 6.5; N, 4.5%; C14 H20 BrNO2 requires: C, 53.5; H, 6.4; N, 4.5%.
  • 3
  • [ 70146-85-9 ]
  • [ 66735-01-1 ]
YieldReaction ConditionsOperation in experiment
In sodium hydroxide; ethanol; water 19.ii EXAMPLE 19 (ii) A solution of sodium hydroxide (34.0 g) in water (155 ml) was added to a solution of diethyl 2-(4-bromobenzyl)-2-methylmalonate (29.2 g) in ethanol (165 ml), and then heated under reflux for 9 hours. The reaction mixture was cooled, the solvent was evaporated and the residue taken up in water (150 ml). Sodium hydroxide pellets were added (25.4 g) and the reaction mixture was heated under reflux for 2 hours. The reaction mixture was then cooled and acidified to pH<1 with concentrated hydrochloric acid, which caused precipitation of a solid. The reaction mixture was extracted with diethyl ether (3*150 ml), the combined organic layers were dried (MgSO4) and then the solvent was evaporated to give a white solid. This solid was heated at 205° C. for 20 minutes, cooled to ambient temperature, dissolved in 1.0M sodium hydroxide solution (150 ml), treated with activated charcoal and then filtered through diatomaceous earth. The resulting clear solution was re-acidified and then extracted with diethyl ether (3*150 ml). The combined organic layers were dried (MgSO4) and evaporated to give a yellow oil which crystallized on standing to give 2-methyl-3-(4-bromophenyl)propanoic acid as a white solid (18.2 g), m.p. 69°-70° C.; mass spectrum (+ve CI): 243 (M+H)+.
  • 4
  • [ 66735-01-1 ]
  • [ 186497-72-3 ]
YieldReaction ConditionsOperation in experiment
With diborane; potassium carbonate In tetrahydrofuran; water 19.iii EXAMPLE 19 (iii) Diborane (192 ml of a 1.0M solution in THF) was added dropwise over 25 minutes to a solution of 2-methyl-3-(4-bromophenyl)propanoic acid (38.9 g) in THF (240 ml) at 0° C. The reaction mixture was stirred for 45 minutes at 0C and then allowed to warm to ambient temperature over 2 hours. Water (120 ml) was added followed by solid potassium carbonate (144 g) and then more water (80 ml). The reaction mixture was extracted with diethyl ether (3*250 ml), the combined organic layers were dried (MgSO4) and the solvent was evaporated to give 2-methyl-3-(4-bromophenyl)propanol as a yellow oil (37.4 g), mass spectrum (+ve CI): 248 (M+NH4)+.
  • 6
  • [ 66735-01-1 ]
  • (R)-4-benzyl-3-((S)-3-(4-bromophenyl)-2-methylpropanoyl)oxazolidin-2-one [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1.1: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane / 2 h / 20 °C 2.1: n-butyllithium; 1,10-Phenanthroline / tetrahydrofuran / 0.3 h / -78 °C 2.2: 1.5 h / -78 °C
  • 7
  • [ 66735-01-1 ]
  • (R)-3-(4-(1H-indazol-6-yl)phenyl)-2-methylpropanoic acid [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1.1: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane / 2 h / 20 °C 2.1: n-butyllithium; 1,10-Phenanthroline / tetrahydrofuran / 0.3 h / -78 °C 2.2: 1.5 h / -78 °C 3.1: potassium carbonate; 1,1'-bis(di-tert-butylphosphino)ferrocenepalladium(II) dichloride / water; acetonitrile / 2 h / 100 °C / Inert atmosphere; Microwave irradiation
  • 8
  • [ 66735-01-1 ]
  • (R)-4-benzyl-3-((R)-3-(4-bromophenyl)-2-methylpropanoyl)oxazolidin-2-one [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1.1: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane / 2 h / 20 °C 2.1: n-butyllithium; 1,10-Phenanthroline / tetrahydrofuran / 0.3 h / -78 °C 2.2: 1.5 h / -78 °C
  • 9
  • [ 66735-01-1 ]
  • (S)-3-(4-(1H-indazol-6-yl)phenyl)-2-methylpropanoic acid [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1.1: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane / 2 h / 20 °C 2.1: n-butyllithium; 1,10-Phenanthroline / tetrahydrofuran / 0.3 h / -78 °C 2.2: 1.5 h / -78 °C 3.1: potassium carbonate; 1,1'-bis(di-tert-butylphosphino)ferrocenepalladium(II) dichloride / water; acetonitrile / 2 h / 100 °C / Inert atmosphere; Microwave irradiation
  • 10
  • [ 66735-01-1 ]
  • (S)-2-methyl-3-(4-(1-(pyridin-2-yl)-1H-indazol-6-yl)phenyl)propanoic acid [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 4 steps 1.1: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane / 2 h / 20 °C 2.1: n-butyllithium; 1,10-Phenanthroline / tetrahydrofuran / 0.3 h / -78 °C 2.2: 1.5 h / -78 °C 3.1: potassium carbonate; 1,1'-bis(di-tert-butylphosphino)ferrocenepalladium(II) dichloride / water; acetonitrile / 2 h / 100 °C / Inert atmosphere; Microwave irradiation 4.1: N,N`-dimethylethylenediamine; potassium carbonate; copper(l) iodide / 1,4-dioxane / 0.5 h / 105 °C
  • 11
  • [ 66735-01-1 ]
  • (R)-2-methyl-3-(4-(1-(pyridin-2-yl)-1H-indazol-6-yl)phenyl)propanoic acid [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 4 steps 1.1: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane / 2 h / 20 °C 2.1: n-butyllithium; 1,10-Phenanthroline / tetrahydrofuran / 0.3 h / -78 °C 2.2: 1.5 h / -78 °C 3.1: potassium carbonate; 1,1'-bis(di-tert-butylphosphino)ferrocenepalladium(II) dichloride / water; acetonitrile / 2 h / 100 °C / Inert atmosphere; Microwave irradiation 4.1: N,N`-dimethylethylenediamine; potassium carbonate; copper(l) iodide / 1,4-dioxane / 0.5 h / 105 °C
  • 12
  • [ 66735-14-6 ]
  • [ 66735-01-1 ]
YieldReaction ConditionsOperation in experiment
With hydrogen
  • 13
  • [ 66735-01-1 ]
  • [ 52568-28-2 ]
  • 3-(4-bromophenyl)-2-methyl-N-(2-(pyridin-2-yl)propan-2-yl)propanamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
2.12 g With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃;
  • 14
  • [ 802294-64-0 ]
  • [ 589-15-1 ]
  • [ 66735-01-1 ]
YieldReaction ConditionsOperation in experiment
Stage #1: propionic acid With lithium diisopropyl amide In tetrahydrofuran at 0 - 80℃; for 2h; Inert atmosphere; Stage #2: 1-bromomethyl-4-bromobenzene In tetrahydrofuran at 0 - 80℃; Inert atmosphere;
  • 15
  • [ 66735-01-1 ]
  • 2-(4-bromobenzyl)-3-oxo-3-((2-(pyridin-2-yl)propan-2-yl)amino)propyl nitrate [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; N-ethyl-N,N-diisopropylamine / dichloromethane / 20 °C 2: palladium diacetate; tert.-butylnitrite; tetrabutylammonium acetate; oxygen / toluene / 24 h / 45 °C / Schlenk technique
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