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[ CAS No. 1701-19-5 ]

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2D
Chemical Structure| 1701-19-5
Chemical Structure| 1701-19-5
Structure of 1701-19-5 *Storage: {[proInfo.prStorage]}

Quality Control of [ 1701-19-5 ]

Related Doc. of [ 1701-19-5 ]

SDS
Alternatived Products of [ 1701-19-5 ]
Alternatived Products of [ 1701-19-5 ]

Product Details of [ 1701-19-5 ]

CAS No. :1701-19-5MDL No. :MFCD00276592
Formula : C11H8F3NO Boiling Point : 245.6°C at 760 mmHg
Linear Structure Formula :-InChI Key :-
M.W :227.18Pubchem ID :-
Synonyms :

Computed Properties of [ 1701-19-5 ]

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

Safety of [ 1701-19-5 ]

Signal Word:WarningClass:N/A
Precautionary Statements:P305+P351+P338-P280UN#:N/A
Hazard Statements:H317-H319Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 1701-19-5 ]

  • Downstream synthetic route of [ 1701-19-5 ]

[ 1701-19-5 ] Synthesis Path-Downstream   1~1

YieldReaction ConditionsOperation in experiment
With phosphorous pentoxide p-toluenesulfonic acid; at 130.0℃; General procedure: General Procedure A: To a pressure tube containing ethyl 4,4,4- trifluoroacetoacetate (1.2 eq) and Eaton"s reagent [7.5% wt. phosphorous pentoxide p- toluenesulfonic acid solution ( 1 mL/0.3 mmol)], was added the corresponding aniline (1 eq). Then the pressure vessel was sealed and heated to 130 , and the reaction mixture was stirred overnight. After cooling to 0 C, the reaction was poured into ice water (~5 mL/1 mmol) and the solution pH was adjusted to 5 by the addition of saturated aqueous potassium carbonate. In situations when a pale yellow precipitate was formed, the solution was filtered and the residue was washed with water and cold ethanol, then dried in vacuo to yield the crude 4-hydroxyquinoline. Alternatively, the solution could be extracted with CHCl3 (20 mL x 3) and dried over anhydrous Na2SO4. After filtration, the solvent was removed in vacuo to give the crude 4-hydroxyquinoline. Then the residue was purified by column chromatography using hexane"EtOAc as an eluent (30% of EtOAc) to give the desired products with yields ranging from 45% to 60%. (0217) Characterization data for compound 1 and 1a e have been reported by Kozikowski. [0140] 8-trifluoromethoxy-2-trifluoromethyl-4-quinolinol (compound 1): Yield 51%.1H NMR (DMSO-d6) 7.19 (1H, s), 7.74 (1H, apparent t, J = 8.4 Hz), 7.88 (1H, d, J = 7.2 Hz), 8.28 (1H, d, J = 8.4 Hz), 9.71 (1H, br s).13C NMR (DMSO-d6) 101.5 (q, J = 2.4 Hz), 119.9, 120.8 (q, J = 258 Hz), 122.4 (q, J = 273 Hz), 123.5, 123.7, 127.3, 128.8, 141.8 (q, 1.8 Hz), 144.5 (q, J = 36 Hz), 163.9. UVmax: 294 nm, 303 nm, 315 nm
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