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Chemical Structure| 877593-11-8 Chemical Structure| 877593-11-8

Structure of 877593-11-8

Chemical Structure| 877593-11-8

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Product Details of [ 877593-11-8 ]

CAS No. :877593-11-8
Formula : C11H16N2O3
M.W : 224.26
SMILES Code : C(C)(C)(C)OC(NC1=NC=CC=C1CO)=O
MDL No. :MFCD04035601
Boiling Point : No data available
InChI Key :KSYLRXQTEZEGQP-UHFFFAOYSA-N
Pubchem ID :11651493

Safety of [ 877593-11-8 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H317-H319
Precautionary Statements:P280-P305+P351+P338

Application In Synthesis of [ 877593-11-8 ]

* 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.

  • Downstream synthetic route of [ 877593-11-8 ]

[ 877593-11-8 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 912369-42-7 ]
  • [ 873460-09-4 ]
  • [ 877593-11-8 ]
  • [ 824429-51-8 ]
YieldReaction ConditionsOperation in experiment
ter f-butyl f2-(hvdroxymethyl)py ridin-3-yll carbamate; To methyl 3-[(tert- butoxycarbonyl)amino]pyridine-2-carboxylate and methyl 2-[(tert- butoxycarbonyl)amino]nicotinate (5.00 g, 19.8 mmol) is added THF/MeOH (30 mL/3 mL) and the reaction is cooled to 0 C whereupon sodiumborohydride (1.49 g, 39.6 mmol) is added. The reaction is warmed to rt and stirred for four hours. The reaction mixture is then EPO <DP n="132"/>dissolved in EtOAc and washed with saturated sodium bicarbonate solution. The organic layers are combined, dried over magnesium sulfate, filtered, and concentrated under reduced pressure to afford the title compound and tert-buty [3-(hydroxymethyl)pyridin-2- yljcarbamate which are separated by preparatory HPLC (5-95% MeCN/water/0.1% TFA). The desired isomer is confirmed by ID NOE NMR experiments. 1H NMR delta 8.78 (br s, IH), 8.17 (m, IH), 8.10 (d, IH), 7.27 (dd, IH), 4.64 (s, 2H), 1.46 (s, 9H). LCMS (ES, M+H=225).
 

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