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[ CAS No. 403850-89-5 ]

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2D
Chemical Structure| 403850-89-5
Chemical Structure| 403850-89-5
Structure of 403850-89-5 *Storage: {[proInfo.prStorage]}

Quality Control of [ 403850-89-5 ]

Related Doc. of [ 403850-89-5 ]

SDS

Product Details of [ 403850-89-5 ]

CAS No. :403850-89-5MDL No. :MFCD11043862
Formula : C9H7BrN2O Boiling Point : -
Linear Structure Formula :-InChI Key :-
M.W :239.07Pubchem ID :135804503
Synonyms :

Computed Properties of [ 403850-89-5 ]

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

Safety of [ 403850-89-5 ]

Signal Word:WarningClassN/A
Precautionary Statements:P261-P280-P305+P351+P338UN#:N/A
Hazard Statements:H302-H315-H319-H332-H335Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 403850-89-5 ]

  • Downstream synthetic route of [ 403850-89-5 ]

[ 403850-89-5 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 403850-89-5 ]
  • [ 103-63-9 ]
  • [ 1251402-08-0 ]
YieldReaction ConditionsOperation in experiment
79% With tetrabutylammomium bromide; sodium hydroxide; In water; toluene; for 14.0h;Reflux; Example 9:7-Bromo-2-methyl-lH-quniazoline-4-one (200 mg, 0.84 mmol, 1.0 equiv), tetrabutylammonium bromide (30 mg, 0.09 mmol, 0.1 equiv), and phenethyl bromide (150 uL, 1.0 mmol, 1.2 equiv) were combined in toluene (10 mL) and treated with 50% aq. NaOH (2 mL), and the resulting mixture was refluxed for 14 hours after which point the reaction mixture was diluted with ethyl acetate and washed with water and brine. The organic phase was dried over Na2SO^ Addition of silica gel, concentration, and purification of the residue using flash silica gel chromatography (gradient of 3->;20% ethyl acetate/hexanes) gave a white solid (226 mg, 0.66 mmol, 79%). This bromide (226 mg, 0.66 mmol) was converted, via Methods 1 and 2, to compound 9 (69 mg, 34%) which was isolated as a white solid. [M-H]- = 307.1 m/z. Activity: B
  • 2
  • [ 403850-89-5 ]
  • [ 74-88-4 ]
  • 7-bromo-2,3-dimethyl-4-oxo-3,4-dihydroquinazoline [ No CAS ]
YieldReaction ConditionsOperation in experiment
With tetrabutylammomium bromide; sodium hydroxide; In water; toluene; at 20 - 35℃; for 40.0h; Example 8:7-Bromo-2-methyl-lH-quniazoline-4-one (200 mg, 0.84 mmol, 1.0 equiv), tetrabutylammonium bromide (30 mg, 0.09 mmol, 0.1 equiv), and iodomethane (350 uL, 5.5 mmol, 7.0 equiv) were combined in toluene (10 mL) and treated with 50% aq. NaOH (2 mL), and the resulting mixture was stirred rapidly at ambient temperature for 24 hours, after which it was heated to 35 0C for an additional 16 hours. At this point, the mixture was diluted with diethyl ether and washed with water, saturated NaHCO3 , and brine. The organic phase was dried over Na2SO4 and concentrated to give a white solid (193 mg, 0.76 mmol, 91%). This crude bromide (193 mg, 0.76 mmol) was converted, via Methods 1 and 2, to compound 8 (21 mg, 13%) which was isolated as a light yellow solid. [M-H]- = 217.1 m/z. Activity: D
Historical Records

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