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[ CAS No. 5176-28-3 ]

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Cat. No.: {[proInfo.prAm]}
2D
Chemical Structure| 5176-28-3
Chemical Structure| 5176-28-3
Structure of 5176-28-3 *Storage: {[proInfo.prStorage]}

Quality Control of [ 5176-28-3 ]

Related Doc. of [ 5176-28-3 ]

SDS
Alternatived Products of [ 5176-28-3 ]
Alternatived Products of [ 5176-28-3 ]

Product Details of [ 5176-28-3 ]

CAS No. :5176-28-3MDL No. :MFCD22573547
Formula : C15H17NO2 Boiling Point : -
Linear Structure Formula :-InChI Key :-
M.W :243.30Pubchem ID :-
Synonyms :

Computed Properties of [ 5176-28-3 ]

TPSA : - H-Bond Acceptor Count : -
XLogP3 : - H-Bond Donor Count : -
SP3 : - Rotatable Bond Count : -

Safety of [ 5176-28-3 ]

Signal Word:WarningClass:
Precautionary Statements:P261-P280-P301+P312-P302+P352-P305+P351+P338UN#:
Hazard Statements:H302-H315-H319-H335Packing Group:
GHS Pictogram:

Application In Synthesis of [ 5176-28-3 ]

  • Downstream synthetic route of [ 5176-28-3 ]

[ 5176-28-3 ] Synthesis Path-Downstream   1~6

  • 1
  • [ 1072-85-1 ]
  • [ 5176-27-2 ]
  • [ 5176-28-3 ]
YieldReaction ConditionsOperation in experiment
58% With magnesium In tetrahydrofuran
44% With magnesium In tetrahydrofuran for 8h; Heating;
37% In tetrahydrofuran for 2.5h; Inert atmosphere; Reflux; 1.1 tert-Butyl 11-azatricyclo[6.2.1.02,7]undeca-2,4,6,9-tetraene-11-carboxylate (D3) To a 1000 mL three neck round bottom flask fitted with condenser, magnetic stir bar and dropping funnel, activated magnesium turning (1.64 g, 68.5 mmol) was added and the flask was flame dried under vacuum. The system was flushed with argon and allowed to cool. N-Boc- pyrrole (9.5 g, 57.1 mmol) in 200 mL of dry THF was introduced into the flask and heated to gentle reflux. 2-Fluorobromobenzene (10 g, 57.1 mmol) dissolved in 200 mL of dry THF was added dropwise under argon atmosphere over a period of 30 min and refluxed for 2 h. The initiation of reaction was indicated by solution turning turbid followed by yellow in colour. The solution was cooled and poured into a flask containing 500 mL aqueous solution of ammonium chloride (300 g) and concentrated ammonium hydroxide (10 mL, 28.0% w/w NH3), The aqueous layer was extracted with petroleum ether (3 X 400 mL), combined organic layer dried over anhydrous sodium sulphate and concentrated, the residue was purified by CC(PE:EA=30:1) to afford D3 (5.1 g, 37%) as a yellow solid. LCMS: BONB-00113-133(ESI) m/z=187.9(M- (CH3)3)+, t=1.330 min (215 nm).
36.3% With magnesium In tetrahydrofuran at 66℃; for 8h; 4.B Step B: A mixed solution of t-butyl pyrryl-1-formate (4.60 g, 27.5 mmol, 1.00 eq.) and magnesium powder (720 mg,27.5 mmol, 1.0 eq.) in THF (20 mL) was heated to 66°C in an oil bath. 1-bromo-2-fluoro-benzene (4.88 g, 27.89mmol, 1.0 eq.) was added slowly in 20 min, and after the addition, the mixture was stirred at 66°C for 8 hours. Thesolvent was removed under reduced pressure and 0.5N HCl aqueous solution was added, followed by extractionwith DCM. The organic layer was washed with brine, dried over anhydrous sodium sulfate and concentrated underreduced pressure. The resulting residue was purified by column chromatography (PE/EA = 20/1) to give t-butyl 1,4-dihydro-1,4-epiminonaphthyl-9-formate (2.43 g, 10 mmol, 36.3% yield) as yellow liquid.
With magnesium In tetrahydrofuran at 65℃; for 2h;

  • 2
  • [ 2161-40-2 ]
  • [ 5176-28-3 ]
  • [ 76526-77-7 ]
  • [ 76526-73-3 ]
YieldReaction ConditionsOperation in experiment
1: 48% 2: 16% In chlorobenzene at 120 - 130℃; for 130h;
  • 3
  • [ 101023-70-5 ]
  • [ 5176-28-3 ]
  • [ 72331-31-8 ]
  • 4
  • [ 116195-81-4 ]
  • [ 5176-28-3 ]
  • (1S,2S,4R)-2-(5-Iodo-pyridin-2-yl)-1,2,3,4-tetrahydro-1,4-epiazano-naphthalene-9-carboxylic acid tert-butyl ester [ No CAS ]
YieldReaction ConditionsOperation in experiment
With piperidine; tetrakis(triphenylphosphine) palladium(0); formic acid In N,N-dimethyl-formamide at 65℃; for 15h;
  • 5
  • [ 5176-28-3 ]
  • [ 129271-98-3 ]
  • (1S,2R)-[2-(1-benzenesulfonyl-1H-indol-3-yl)-1,2-dihydro-naphthalen-1-yl]carbamic acid tert-butyl ester [ No CAS ]
  • 6
  • [ 19833-78-4 ]
  • [ 5176-28-3 ]
  • (1S,2S)-(2-diethylamino-1,2-dihydro-naphthalen-1-yl)-carbamic acid tert-butyl ester [ No CAS ]
  • (1R,2R)-(2-diethylamino-1,2-dihydro-naphthalen-1-yl)-carbamic acid tert-butyl ester [ No CAS ]
  • [ 72594-62-8 ]
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