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Chemical Structure| 222530-34-9 Chemical Structure| 222530-34-9

Structure of 222530-34-9

Chemical Structure| 222530-34-9

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Product Details of [ 222530-34-9 ]

CAS No. :222530-34-9
Formula : C12H21NO4
M.W : 243.30
SMILES Code : CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H](C1)C(O)=O
MDL No. :MFCD06227743
InChI Key :JSGHMGKJNZTKGF-DTWKUNHWSA-N
Pubchem ID :2755995

Safety of [ 222530-34-9 ]

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

Application In Synthesis of [ 222530-34-9 ]

* 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 [ 222530-34-9 ]

[ 222530-34-9 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 222530-34-9 ]
  • [ 1187449-01-9 ]
  • tert-butyl ((1R,3S)-3-((4-bromo-5-chloropyridin-2-yl)carbamoyl)cyclohexyl)carbamate [ No CAS ]
YieldReaction ConditionsOperation in experiment
A solution of (1S,3R)-3-((tert-butoxycarbonyl)amino)cyclohexanecarboxylic acid (1.50 g, 6.15 mmol; prepared according to Example 2) dissolved in DCM (20 mL) at 0° C. was treated with 1-chloro-N,N,2-trimethylprop-1-en-1-amine (0.976 mL, 7.38 mmol). The mixture was stirred at r.t. for 1.5 h before <strong>[1187449-01-9]4-bromo-5-chloropyridin-2-amine</strong> (1.02 g, 4.92 mmol) and pyridine (0.594 mL, 7.38 mmol) were added sequentially. The resulting solution was stirred at r.t. for 16 h. The reaction mixture was diluted with DCM (25 mL), and washed sequentially with water (2×25 mL) and saturated aqueous sodium chloride (25 mL). The organic layer was dried over MgSO4, filtered, and concentrated under reduced pressure. The resulting crude product was purified by ion exchange chromatography, using an SCX-2 column. The desired product was eluted from the column using methanol to afford tert-butyl ((1R,3S)-3-((4-bromo-5-chloropyridin-2-yl)carbamoyl)cyclohexyl)carbamate (2.34 g, 110percent) as a white solid. 1H NMR (400 MHz, DMSO-d6, 30° C.) 1.12 (1H, dd), 1.22-1.32 (3H, m), 1.38 (9H, s), 1.72 (3H, dd), 1.83-1.94 (2H, m), 2.11 (1H, dt), 8.48 (1H, s), 8.50 (1H, s), 10.77 (1H, s), one proton not observed. m/z: ES?[M?H]? 430.
 

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