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[ CAS No. 57835-35-5 ]

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Chemical Structure| 57835-35-5
Chemical Structure| 57835-35-5
Structure of 57835-35-5 * Storage: {[proInfo.prStorage]}

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Alternatived Products of [ 57835-35-5 ]

Product Details of [ 57835-35-5 ]

CAS No. :57835-35-5 MDL No. :MFCD09907053
Formula : C14H21BrO Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W :285.22 g/mol Pubchem ID :-
Synonyms :

Safety of [ 57835-35-5 ]

Signal Word:Warning Class:
Precautionary Statements:P261-P280-P301+P312-P302+P352-P305+P351+P338 UN#:
Hazard Statements:H302-H315-H319-H335 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 57835-35-5 ]

  • Downstream synthetic route of [ 57835-35-5 ]

[ 57835-35-5 ] Synthesis Path-Downstream   1~17

  • 1
  • [ 57835-35-5 ]
  • [ 102127-40-2 ]
YieldReaction ConditionsOperation in experiment
With bromine at 80 - 100℃;
With bromine at 80 - 100℃;
  • 2
  • [ 57835-35-5 ]
  • [ 17199-22-3 ]
YieldReaction ConditionsOperation in experiment
With nitric acid; acetic acid
  • 3
  • [ 140-66-9 ]
  • [ 57835-35-5 ]
YieldReaction ConditionsOperation in experiment
100% With bromine; In water; at 70℃; for 2h; A mixture of 10.3 g (50 mmol) of p-tert.-octylphenole and 40 mL of water was heated to 70C while being stirred. To this mixture were added 6.8 g (2.2 ml, 43 mmol)) of bromine together with 5 ml of water via a dropping funnel. After the addition was completed the mixture was stirred for another 60 minutes, further 3.1 g (20 mmol) of bromine were added. After one hour the mixture was cooled to room temperature and made alkaline by the addition of NaOH. The crude title compound was extracted with ethyl acetate, washed with water, dried and evaporated under reduced pressure. Finally purification by column chromatography was carried out using cyclohexane and toluene as eluent to yield 17.5 g (quant.) of oily product. Rf (toluene : petroleum ether = 1 :1 ) = 0.37
  • 4
  • [ 50-00-0 ]
  • [ 57835-35-5 ]
  • bis[3-bromo-2-hydroxy-5-(1,1,3,3-tetramethylbutyl)benzenemethanolato(2-)-O,O']borate(1-) potassium salt [ No CAS ]
YieldReaction ConditionsOperation in experiment
90% With potassium hydroxide; boric acid In water at 50℃; for 24h;
  • 5
  • [ 50-00-0 ]
  • [ 57835-35-5 ]
  • bis[3-bromo-2-hydroxy-5-(1,1,3,3-tetramethylbutyl)benzenemethanolato(2-)-O,O']borate(1-) sodium salt [ No CAS ]
YieldReaction ConditionsOperation in experiment
76% With sodium hydroxide; boric acid In water at 50℃; for 24h;
YieldReaction ConditionsOperation in experiment
4-(1,1,3,3-Tetramethylbutyl)-phenol, Brom;
  • 7
  • [ 57835-35-5 ]
  • [ 7697-37-2 ]
  • [ 64-19-7 ]
  • [ 2316-50-9 ]
  • 8
  • [ 57835-35-5 ]
  • [ 64-19-7 ]
  • [ 17199-22-3 ]
  • 9
  • [ 107-39-1 ]
  • [ 57835-35-5 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: concentrated sulfuric acid / 20 - 25 °C 2: bromine / 85 °C
  • 10
  • [ 108-95-2 ]
  • [ 57835-35-5 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: KOH / 75 - 180 °C 2: bromine / 85 °C
Multi-step reaction with 2 steps 1: concentrated sulfuric acid / 20 - 25 °C 2: bromine / 85 °C
  • 11
  • [ 50-00-0 ]
  • [ 57835-35-5 ]
  • [ 11113-50-1 ]
  • [ 1310-73-2 ]
  • bis[3-bromo-2-hydroxy-5-(1,1,3,3-tetramethylbutyl)benzenemethanolato(2-)-O,O']borate(1-) sodium salt [ No CAS ]
YieldReaction ConditionsOperation in experiment
76% In water stirring substituted phenol with 37% aq. HCHO at 50°C, addn. of H3BO3 and NaOH, stirring for 24 h (crystn.); slow cooling to room temp., water addn., stirring, collection (filtration), washing (water, hexanes), drying (desiccator), recrystn. (MeNO2);
47% With hydrogenchloride In water stirring substituted phenol with 37% aq. HCHO at 50°C, addn. of H3BO3 and NaOH, adjusting pH to 10 (HCl), stirring for 24 h (crystn.); slow cooling to room temp., water addn., stirring, collection (filtration), washing (water, hexanes), drying (desiccator);
  • 12
  • [ 50-00-0 ]
  • [ 57835-35-5 ]
  • [ 11113-50-1 ]
  • potassium hydroxide [ No CAS ]
  • bis[3-bromo-2-hydroxy-5-(1,1,3,3-tetramethylbutyl)benzenemethanolato(2-)-O,O']borate(1-) potassium salt [ No CAS ]
YieldReaction ConditionsOperation in experiment
90% In water stirring substituted phenol with 37% aq. HCHO at 50°C, addn. of H3BO3 and KOH, stirring for 24 h (crystn.); slow cooling to room temp., water addn., stirring, collection (filtration), washing (water, hexanes), drying (desiccator), recrystn. (MeNO2);
  • 13
  • [ 140-66-9 ]
  • [ 57835-35-5 ]
  • [ 102127-40-2 ]
YieldReaction ConditionsOperation in experiment
With sodium hypochlorite; potassium bromide In 1,4-dioxane; water
  • 14
  • [ 57835-35-5 ]
  • C34H41NO3 [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: potassium acetate; palladium bis[bis(diphenylphosphino)ferrocene] dichloride / toluene / 22 h / 70 °C 2: potassium carbonate; tetrakis(triphenylphosphine) palladium(0) / toluene; water / 80 °C
  • 15
  • [ 57835-35-5 ]
  • C34H39Br2NO3 [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 3 steps 1: potassium acetate; palladium bis[bis(diphenylphosphino)ferrocene] dichloride / toluene / 22 h / 70 °C 2: potassium carbonate; tetrakis(triphenylphosphine) palladium(0) / toluene; water / 80 °C 3: bromine / chloroform / 1.5 h / 50 °C
  • 16
  • [ 57835-35-5 ]
  • C48H47N3O3 [ No CAS ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 4 steps 1: potassium acetate; palladium bis[bis(diphenylphosphino)ferrocene] dichloride / toluene / 22 h / 70 °C 2: potassium carbonate; tetrakis(triphenylphosphine) palladium(0) / toluene; water / 80 °C 3: bromine / chloroform / 1.5 h / 50 °C 4: tris-(dibenzylideneacetone)dipalladium(0); tri-tert-butyl phosphine; potassium carbonate / toluene; water / 8 h / 90 °C
  • 17
  • [ 57835-35-5 ]
  • [ 73183-34-3 ]
  • 4-(1,1,3,3-tetramethylbutyl)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenol [ No CAS ]
YieldReaction ConditionsOperation in experiment
With palladium bis[bis(diphenylphosphino)ferrocene] dichloride; potassium acetate In toluene at 70℃; for 22h; 2.2 4-(1 ,1 ,3,3-Tetramethylbutyl)-2-(4,4,5,5-tetramethyl-1 ,3,2-dioxaborolan-2- yl)phenol A mixture of 1.0 g (3.5 mmol) of the compound of preparation example 2.1 , 50 ml. of toluene, 2.67 g (10.5 mmol) of bis-pinacolatodiboron, 2.7 g of potassium acetate and 0.256 g (0.35 mmol) of 1 ,T-bis(diphenylphosphino)ferrocene-palladium(ll)dichloride was heated to 70°C for 22 hours. The reaction mixture was cooled to room temperature, diluted with 50 ml. of toluene and 1 g of charcoal was added. The mixture was stirred for 10 minutes and then filtered and the solvent evaporated under vacuum. The product was purified by column chromatography resulting in 1.3 g (83%) of title compound containing 25% of tert.-octylphenole. Rf (toluene) = 0.15.
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