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[ CAS No. 53087-78-8 ]

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Chemical Structure| 53087-78-8
Chemical Structure| 53087-78-8
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CAS No. :53087-78-8 MDL No. :MFCD04113825
Formula : C8H8BrNO2 Boiling Point : 271.3°C at 760 mmHg
Linear Structure Formula :- InChI Key :-
M.W :230.06 g/mol Pubchem ID :1415877
Synonyms :

Safety of [ 53087-78-8 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 53087-78-8 ]

  • Upstream synthesis route of [ 53087-78-8 ]
  • Downstream synthetic route of [ 53087-78-8 ]

[ 53087-78-8 ] Synthesis Path-Upstream   1~2

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YieldReaction ConditionsOperation in experiment
94%
Stage #1: at 90℃; for 4 h;
Ethyl cyanoacetate (59 mL, 0.5 mol) was added to the reactor,1-dodecyl-3-methylimidazolium chloride50 mL,3-dimethylaminopropenal 62 mL (0.5 mol) was homogeneously mixed,The oil bath was heated to 90 ° C and incubated for 4 hours. TLC detection (petroleum ether: methylene chloride 1: 2 expansion, sublimed iodine coloring) 3-dimethylaminophenaldehyde was complete,Cool to room temperature, organic solvent1,2-dichloroethane 60mL extraction 3 times, residual phase ion water washing vacuum drying and reuse,The organic phase was passed through a dry HBr gas and the HPLC was followed by the reaction until the reaction was complete.Add the mass fraction of 20percent sodium carbonate solution to adjust the pH = 5-6, liquid,For water use1,2-dichloroethane 20mL × 3 times extraction, the organic layer, combined with water,The molecular sieves were dried, filtered and the solvent was evaporated under reduced pressure1,2-dichloroethane was recovered to give ethyl 2-bromonicotinate, 108.4 g of a light brown liquid in a yield of 94.0percent.
93.5%
Stage #1: at 40℃; Sonication
Stage #2: at 40℃; Sonication
In a 500 mL three-necked flask equipped with a thermometer, first, 2-dimethylaminoacrolein (62 mL, 0.5 mol) and pyridine (20 mL) were added, and then 65 mL (0.6 mol) of ethyl cyanoacetate was added to prepare the prepared device. Into the ultrasonic instrument. Ultrasonic radiation conditions were set, and the reaction was carried out at a temperature of 40 °C, an ultrasonic power of 150 W, and a frequency of 20KHz TLC test (petroleum ether:dichloromethane 1:2 development, sublimation iodine development) 3-dimethylaminopropylene Aldehyde reaction is complete. After that, HBr gas was introduced and the ultrasonic irradiation conditions were as above, and the reaction was followed by HPLC until the reaction was completed. After the reaction is completed, add 30percent sodium hydroxide solution to adjust ρΗ = 5-6, and separate the layers. The aqueous layer is extracted with dichloromethane 20 mL x 3 times. The organic layers are combined, and the deionized water is washed with 10 mL of water. The organic layer was dried over anhydrous Na2SO4 , filtered, and the solvent was evaporated under reduced pressure in the liquid phase to obtain ethyl 2-bromonicotinate as light brown liquid, 107.5 g, with a yield of 93.5percent.
Reference: [1] Patent: CN105001154, 2017, B, . Location in patent: Paragraph 0049; 0050; 0051; 0052
[2] Patent: CN104945317, 2018, B, . Location in patent: Paragraph 0047; 0048
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Reference: [1] Patent: CN106349157, 2017, A,
[2] Patent: CN104945316, 2018, B,
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