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[ CAS No. 81474-46-6 ]

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Cat. No.: {[proInfo.prAm]}
2D
Chemical Structure| 81474-46-6
Chemical Structure| 81474-46-6
Structure of 81474-46-6 *Storage: {[proInfo.prStorage]}

Quality Control of [ 81474-46-6 ]

Purity: {[proInfo.showProBatch.pb_purity]}

Related Doc. of [ 81474-46-6 ]

SDS

Product Details of [ 81474-46-6 ]

CAS No. :81474-46-6MDL No. :MFCD00792457
Formula :C10H9BrO5Boiling Point :356.325°C at 760 mmHg
Linear Structure Formula :-InChI Key :-
M.W :289.08Pubchem ID :11449108
Synonyms :

Computed Properties of [ 81474-46-6 ]

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

Safety of [ 81474-46-6 ]

Signal Word:WarningClassN/A
Precautionary Statements:P264-P270-P301 P312-P330UN#:N/A
Hazard Statements:H302Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 81474-46-6 ]

  • Downstream synthetic route of [ 81474-46-6 ]

[ 81474-46-6 ] Synthesis Path-Downstream   1~10

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YieldReaction ConditionsOperation in experiment
95.6% With potassium carbonate; In N,N-dimethyl-formamide; at 95℃; for 3.0h; 15g (54.2mmol) of bromide, 150ml of DMF, 18g (130mmol) of potassium carbonate,Diiodomethane 17.4g (64.9mmol) was added to the reaction flask, warmed to 95 for 3 hours,After recovering most of the DMF under negative pressure, add 100ml of water and stir to cool to 12 .Filtration and drying yielded 15.2g of the target compound with a yield of 95.6% and HPLC> 99.3%.
93.7% With potassium carbonate; In N,N-dimethyl-formamide; at 90℃; for 3.0h; The bromide 15g (54.2mmol), DMF 150ml, potassium carbonate 18g (130mmol),Diiodomethane 17.4g (64.9mmol) was added to the reaction flask, and the temperature was raised to 90 for 3 hours,After recovering most of the DMF under negative pressure, add 100ml of water, stir and cool to 10, filter,After drying, the target compound was 14.9g, the yield was 93.7%, and the HPLC>99.2%.
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  • [ 22934-58-3 ]
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YieldReaction ConditionsOperation in experiment
51% With bromine; In acetic acid; REFERENTIAL EXAMPLE 3 In 35 ml of acetic acid was dissolved 10.5 g of methyl 5-methoxy-3,4-methylenedioxybenzoate, and a solution of bromine (formed by diluting 8 g of bromine with 25 ml of acetic acid) was dropped into the solution over a period of 1 hour. The mixture was stirred at room temperature for 10 hours and the reaction liquid was poured into ice water, and the formed precipitate was recovered by filtration and recrystallized from ethanol to obtain methyl 2-bromo-5-methoxy-3,4-methylenedioxybenzoate (the yield was 51%). Melting point: 103 to 105 C. Infrared absorption spectrum EQU3 cm-1 2944, 1726, 1626, 1488, 1462, 1434, 1404, 1326, 1248, 1194, 1176, 1108, 1040, 936 Proton nuclear magnetic resonance spectrum (delta ppm in CDCl3) 3.90 (s, 3H), 3.92 (s, 3H), 6.11 (s, 2H), 7.27 (s, 1H) Mass spectrum: m/z (%) 290 (89, M+), 288 (91, M+), 259 (100), 257 (100)
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  • C11H12O6 [ No CAS ]
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  • C9H8O6 [ No CAS ]
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  • C10H10O6 [ No CAS ]
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