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[ CAS No. 948594-79-4 ] {[proInfo.proName]}

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Chemical Structure| 948594-79-4
Chemical Structure| 948594-79-4
Structure of 948594-79-4 * Storage: {[proInfo.prStorage]}
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Product Details of [ 948594-79-4 ]

CAS No. :948594-79-4 MDL No. :MFCD25509425
Formula : C12H15BrN2O4 Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W : 331.16 Pubchem ID :-
Synonyms :

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Application In Synthesis of [ 948594-79-4 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

  • Upstream synthesis route of [ 948594-79-4 ]
  • Downstream synthetic route of [ 948594-79-4 ]

[ 948594-79-4 ] Synthesis Path-Upstream   1~2

  • 1
  • [ 948594-79-4 ]
  • [ 948594-80-7 ]
YieldReaction ConditionsOperation in experiment
34% With trifluoroacetic acid In dichloromethane at 0 - 20℃; for 4 h; Step 2: 1-tert-butyl 3-methyl 2-(5-bromopyrimidin-2-yl)malonate Ex.46a (1.88 g, crude) was dissolved in CH2CI2 (20 mL). The mixture was cooled to 0°C and trifluoroacetic acid 99percent (10 mL) was added dropwise. The reaction mixture was allowed to rise rt and stirred at this temperature for 4h. The solvent was removed under reduced pressure. Toluene was added and the solution wasevaporated to dryness. The residue was diluted with EtOAc and sat. sodium bicarbonate solution. The two phases were partitionated. The organic layer was washed with brine, dried over Mg504 and the solution was concentrated under reduced pressure. The crude material was purified by flash column chromatography on silica gel eluting with a gradient of Heptane/EtOAc from [100:0] to [60:40]. The desired fractions were combined and concentrated to obtain methyl 2-(5-bromopyrimidin-2-yl)acetate Ex.46b (405 mg, 34percent,calculated over two steps) as yellow oil.
Reference: [1] Patent: WO2018/138359, 2018, A1, . Location in patent: Page/Page column 41; 64
[2] Patent: WO2007/99335, 2007, A1, . Location in patent: Page/Page column 104
[3] Tetrahedron, 2009, vol. 65, # 4, p. 757 - 764
  • 2
  • [ 948594-79-4 ]
  • [ 1114830-16-8 ]
Reference: [1] Tetrahedron, 2009, vol. 65, # 4, p. 757 - 764
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