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Chemical Structure| 6214-48-8 Chemical Structure| 6214-48-8

Structure of 6214-48-8

Chemical Structure| 6214-48-8

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Product Details of [ 6214-48-8 ]

CAS No. :6214-48-8
Formula : C8H10N2O2
M.W : 166.18
SMILES Code : CCOC(=O)CC1=CN=CN=C1
MDL No. :MFCD11656634
InChI Key :JYFYKRSTLSLCFM-UHFFFAOYSA-N
Pubchem ID :21471619

Safety of [ 6214-48-8 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P305+P351+P338

Application In Synthesis of [ 6214-48-8 ]

* 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 [ 6214-48-8 ]
  • Downstream synthetic route of [ 6214-48-8 ]

[ 6214-48-8 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 6214-48-8 ]
  • [ 875251-47-1 ]
YieldReaction ConditionsOperation in experiment
30% at 0 - 20℃; Inert atmosphere [0712] Synthesis of 2-(pyrimidin-5-yl) ethanol: [0713] To a stirred solution of ethyl 2-(pyrimidin-5-yl) acetate (200 mg, 1.20 mmol) in ethanol (15 mL) under argon atmosphere was added sodium borohydride (91 mg, 2.40 mmol) at 0 °C; warmed to room temperature and stirred for 16 h. The reaction was monitored by TLC; after completion of the reaction, the reaction mass was quenched with ice-water (2 mL) and the volatiles were removed in vacuo to obtain the crude. The crude was purified through silica gel column chromatography using 4percent MeOH/ CH2C12 to afford 2-(pyrimidin-5-yl) ethanol (45 mg, 30percent) as colorless syrup. [0714] 1H-NMR (DMSO-< 5, 500 MHz): δ 9.01 (s, 1H), 8.62 (s, 2H), 4.76 (t, 1H), 3.66-3.64 (m, 2H), 2.78-2.76 (t, 2H); LC-MS: 98.71percent; 125 (M++l); (column; Eclipse XDB C-18, 150 4.6 mm, 5 μπι); RT 3.75 min. 0.05percent TFA (aq.): ACN; 1.0 mL/min); UPLC (purity): 96.67percent; (column: Acquity UPLC HSS T3, 2.1 x 100 mm, 1.8 μπι); RT 1.86 min. ACN : 0.025percent TFA (Aq); 0.3 mL/min. (IP12060040); TLC: 10percent MeOH/ CH2C12 (Rf: 0.4).
References: [1] Patent: WO2013/142269, 2013, A1, . Location in patent: Paragraph 0712; 0713; 0714.
 

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