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CAS No. :223564-75-8 MDL No. :MFCD11127630
Formula : C10H13BrO Boiling Point : -
Linear Structure Formula :- InChI Key :QTAHPJXZROQDCU-UHFFFAOYSA-N
M.W : 229.11 Pubchem ID :17853533
Synonyms :

Safety of [ 223564-75-8 ]

Signal Word:Warning Class:
Precautionary Statements:P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313 UN#:
Hazard Statements:H315-H319 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 223564-75-8 ]

* 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 [ 223564-75-8 ]

[ 223564-75-8 ] Synthesis Path-Downstream   1~8

  • 1
  • [ 223564-75-8 ]
  • [ 2756-85-6 ]
  • 1-[(3-isobutoxyphenyl)amino]cyclohexanecarboxylic acid [ No CAS ]
YieldReaction ConditionsOperation in experiment
19% With copper(I) bromide dimethylsulfide complex; potassium carbonate In N,N-dimethyl acetamide at 120℃; for 3h;
  • 2
  • [ 223564-75-8 ]
  • 1-(3-isobutoxy-phenylamino)-cyclohexanecarboxylic acid [2-(4-methoxy-phenylamino)-ethyl]-amide [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: 19 percent / K2CO3; CuBr*Me2S / N,N-dimethyl-acetamide / 3 h / 120 °C 2: 64 percent / 1-hydroxybenzotriazole; 1-ethyl-3-[3-(dimethylamino)propyl]carbodiimide HCl; triethylamine / dimethylformamide / 10 h
  • 3
  • [ 591-20-8 ]
  • [ 513-36-0 ]
  • [ 223564-75-8 ]
YieldReaction ConditionsOperation in experiment
With potassium hydroxide; sodium bromide In water; dimethyl sulfoxide 1 C1.3-bromo-1-(2-methylpropoxy)benzene C1.3-bromo-1-(2-methylpropoxy)benzene A mixture of m-bromophenol (34.6 g, 0.2 mol), 125 ml DMSO, coarse-powdered KOH (31 g, 0.47 mole) and isobutylchloride (31 g, 0.47 mol) are stirred, together with 20 g NaBr, for 5 days. More KOH (10 g) is added because 1H-NMR showed 50 % only conversion. The reaction mixture is stirred for another 5 h, water (10 ml) is added and stirring is continued overnight. After processing (extraction with toluene and water) 3-bromo-1-(2-methylpropoxy)benzene is obtained which can be used unaltered. Yield: 20.9 g (46%). 1H-NMR (CDCl3): 0.9-1.1 (d, 6H), 1.8-2.3 (m, 1H), 3.6-3.7 (d, 2H), 6.6-7.5 (AB, 4H).
YieldReaction ConditionsOperation in experiment
With potassium carbonate In N,N-dimethyl-formamide at 120℃; XVI.5 General procedure: 5.0 g (28.9 mmol) 4-bromophenol, 3.93 g (43.4 mmol) (chloromethyl)cyclopropane and 7.99 g (57.8 mmol) K2C03 are added to 10 mL DMF and stirred at 80° C over night. Afterwards the reaction mixture is diluted with water and extracted with DCM. The organic layer is dried with MgSO4 and the solvent is removed in vacuo.C10H11BrO (M= 227.1 g/mol)EI-MS: 226/228 [M]+ (HPLC): 8.16 mm (method J). The following compounds are prepared analogously to example XVI.1 For example XVI.2 the reaction temperature is 120 ° C.
With potassium carbonate In N,N-dimethyl-formamide at 80℃; XVI.5 Example XVI.1 General procedure: Example XVI.1 (General Route) 1-Bromo-4-cyclopropylmethoxybenzene 5.0 g (28.9 mmol) 4-bromophenol, 3.93 g (43.4 mmol) (chloromethyl)cyclopropane and 7.99 g (57.8 mmol) K2CO3 are added to 10 mL DMF and stirred at 80° C. over night. Afterwards the reaction mixture is diluted with water and extracted with DCM. The organic layer is dried with MgSO4 and the solvent is removed in vacuo. C10H11BrO (M=227.1 g/mol) ESI-MS: 226/228 [M]+Rt (HPLC): 8.16 min (method J)
  • 5
  • [ 223564-75-8 ]
  • [ 124-38-9 ]
  • [ 350997-58-9 ]
YieldReaction ConditionsOperation in experiment
28.3% Stage #1: 1-bromo-3-isobutoxybenzene With n-butyllithium In tetrahydrofuran; diethyl ether at -70℃; Inert atmosphere; Stage #2: carbon dioxide In tetrahydrofuran; diethyl ether Stage #3: With hydrogenchloride In tetrahydrofuran; diethyl ether; water A solution of 4-bromophenyl-iso-butylether (40.0 g, 0.175 mol) in diethyl ether was added dropwise to a solution of n-butyllithium (0.183 mol) in dry diethyl ether (200 ml) and dry tetrahydrofuran (THF) (20 ml) at -70 °C. The temperature did not exceed -65 °C. After completion of the addition the mixture was stirred for one hour at -70 °C. The mixture was carefully poured on 140 g of dry ice in diethyl ether (100 ml). After completion of this step, 200 ml of water was added. The mixture was acidified to pH = 6 with 3 M aq. HCl. The aqueous phase was extracted with ether (100 ml). The combined organic layers were dried over sodium sulfate and the solvent was removed under reduced pressure. Recrystallization from hexane yielded with 4-iso-butoxybenzoic acid (15.03 g, 44.2%) as a white powder with the melting point of 139-141 °C (lit. 142 °C [10].
  • 7
  • [ 223564-75-8 ]
  • tert-Butyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-1(2H)-pyridinecarboxylate [ No CAS ]
  • tert-butyl 4-(3-isobutoxyphenyl)-5,6-dihydropyridine-1(2H)-carboxylate [ No CAS ]
YieldReaction ConditionsOperation in experiment
78% With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; sodium carbonate In 1,2-dimethoxyethane; water at 120℃; for 0.75h; Sealed tube; Inert atmosphere; Microwave irradiation; General Procedure 1 - Suzuki coupling: General procedure: The boronic acid pinacol ester (1 equiv.), aryl halide (1 equiv.) and Pd(dppf)Cl2·CH2Cl2 adduct (0.1 equiv.) were dissolved in a mixture of DME and aqueous sodium carbonate (1M) in a microwave vial. The vial was sealed, evacuated and backfilled with N2. The reaction mixture was heated in the microwave at 120°C for 45min and monitored by LCMS. The reaction mixture was concentrated in vacuo to give the crude material which was purified by Biotage column chromatography (see individual compounds for details of the eluent used).
  • 8
  • [ 78-77-3 ]
  • [ 591-20-8 ]
  • [ 223564-75-8 ]
YieldReaction ConditionsOperation in experiment
72% With potassium carbonate In N,N-dimethyl-formamide at 80℃; for 18h; 1-Bromo-3-isobutoxybenzene To a stirred solution of 3-bromophenol (346 mg, 2.0 mmol) in dry DMF (10 mL) was addedpotassium carbonate (552 mg, 4.0 mmol), followed by 1-bromo-2-methylpropane (274 mg,2.0 mmol). The reaction mixture was heated to 80 °C, stirred at this temperature for 18 h andthen allowed to cool to room temperature and diluted with ethyl acetate (50 mL). The solution was washed with water (2 × 30 mL), dried, and concentrated in vacuo to give thetitle compound as a colourless oil (328 mg, 72%);
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