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[ CAS No. 51605-98-2 ] {[proInfo.proName]}

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Chemical Structure| 51605-98-2
Chemical Structure| 51605-98-2
Structure of 51605-98-2 * Storage: {[proInfo.prStorage]}
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Product Details of [ 51605-98-2 ]

CAS No. :51605-98-2 MDL No. :MFCD11845937
Formula : C10H14BrN Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 228.13 Pubchem ID :-
Synonyms :

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Application In Synthesis of [ 51605-98-2 ]

* 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 [ 51605-98-2 ]

[ 51605-98-2 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 51605-98-2 ]
  • [ 20651-72-3 ]
YieldReaction ConditionsOperation in experiment
Multi-step reaction with 2 steps 1: (i) aq. NaNO2, H2SO4, (ii) Cu 2: (i) Mg, EtBr, Et2O, (ii) /BRN= 1900390/
  • 2
  • [ 51605-98-2 ]
  • [ 172732-52-4 ]
  • [ 946147-28-0 ]
YieldReaction ConditionsOperation in experiment
65.9% With potassium carbonate;tetrakis(triphenylphosphine)palladium (0); In ethanol; toluene; Step 1: Preparation of 2-(n-butyl)-6-aminophenanthridine 20.0 g (87.7 mmol) <strong>[172732-52-4]2-(1,3,2-dioxaborinan-2-yl)benzonitrile</strong>, 13.7 g (73.1 mmol) 2-bromo-4-butylaniline, 1.70 g (1.46 mmol) tetrakis(triphenylphosphine)palladium(0), and 27.2 g (198 mmol) potassium carbonate where refluxed in 400 mL toluene and 200 mL ethanol under N2 atmosphere for 20 h. HPLC and TLC revealed almost complete consumption of the aniline. An additional 1.8 g <strong>[172732-52-4]2-(1,3,2-dioxaborinan-2-yl)benzonitrile</strong> was added and refluxed continued for an additional 18 h. The reaction mixture was cooled and passed through a filter The solids were washed with ethyl acetate to remove organics from the collected base. The filtrate was then evaporated down and dried on silica. The sample was purified using silica gel chromatography with 100percent ethyl acetate as the eluent. The product fractions were then evaporated down to a minimal amount and the product recrystallized from EtOAc/hexanes to give 12.0 g of the title compound as light yellow solids (65.9percent yield, GC-MS confirmed).
65.9% With tetrakis(triphenylphosphine) palladium(0); potassium carbonate; In ethanol; toluene; for 38h;Reflux; Inert atmosphere; Step 1: Preparation of 2-(n-butyl)-6-aminophenanthridine 20.0 g (87.7 mmol) <strong>[172732-52-4]2-(1,3,2-dioxaborinan-2-yl)benzonitrile</strong>, 13.7 g (73.1 mmol) 2-bromo-4-butylaniline, 1.70 g (1.46 mmol) tetrakis(triphenylphosphine)palladium(0), and 27.2 g (198 mmol) potassium carbonate where refluxed in 400 mL toluene and 200 mL ethanol under N2 atmosphere for 20 h. HPLC and TLC revealed almost complete consumption of the aniline. An additional 1.8 g <strong>[172732-52-4]2-(1,3,2-dioxaborinan-2-yl)benzonitrile</strong> was added and refluxed continued for an additional 18 h. The reaction mixture was cooled and passed through a filter. The solids were washed with ethyl acetate to remove organics from the collected base. The filtrate was then evaporated down and dried on silica. The sample was purified using silica gel chromatography with 100percent ethyl acetate as the eluent. The product fractions were then evaporated down to a minimal amount and the product recrystallized from EtOAc/hexanes to give 12.0 g of the title compound as light yellow solids (65.9percent yield, GC-MS confirmed).
65.9% With tetrakis(triphenylphosphine) palladium(0); potassium carbonate; In ethanol; toluene; for 38h;Reflux; Inert atmosphere; Step 1: ) Preparation of 2-(n-butyl)-6-aminophenanthridine 20.0 g (87.7 mmol) 2- (1,3,2- I-dioxa barley-2-yl) benzonitrile, 13.7 g (73.1 mmol) 2-bromo-4-butylaniline, 1.70g (1.46 mmol) tetratetrakis(triphenylphosphine)palladium(0) and was refluxed for 20 hours under 27.2 g (198 mmol) of potassium carbonate a N2 atmosphere from 400 toluene and 200 ethanol. According to HPLC and TLC, it showed almost complete consumption of the aniline. Add 1.8 g 2- (1,3,2- I-dioxa barley-2-yl) benzonitrile was added in and allowed to continue to reflux for 18 h more. The reaction mixture was cooled, passed through a filter. The solid was washed with ethyl acetate to remove organics from the collected base. Then, the filtrate was evaporated and dried over silica. It was purified by silica gel chromatography using 100percent ethyl acetate as an eluent sample. Thereafter, the product fractions was evaporated to a minimum amount, the product was recrystallized from EtOAc / hexane to obtain 12.0 g of the title compound as a pale yellow solid (the yield: 65.9percent, GC-MS confirmed).
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