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Chemical Structure| 20626-49-7 Chemical Structure| 20626-49-7

Structure of 20626-49-7

Chemical Structure| 20626-49-7

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Product Details of [ 20626-49-7 ]

CAS No. :20626-49-7
Formula : C5H8O2
M.W : 100.12
SMILES Code : C=C[C@@H](C)C(O)=O
MDL No. :MFCD19228803

Safety of [ 20626-49-7 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H314-H227-H290
Precautionary Statements:P501-P210-P234-P264-P280-P370+P378-P390-P303+P361+P353-P301+P330+P331-P363-P304+P340+P310-P305+P351+P338+P310-P403+P235-P406-P405
Class:8
UN#:3265
Packing Group:

Application In Synthesis of [ 20626-49-7 ]

* 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 [ 20626-49-7 ]

[ 20626-49-7 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 20626-49-7 ]
  • (R)-tert-butyl (1-(4-(4-amino-1-(difluoromethyl)-1H-pyrazol-5-yl)pyridin-2-yl)but-3-en-1-yl)carbamate [ No CAS ]
  • [ 68957-94-8 ]
  • tert-butyl ((1R)-1-(4-(1-(difluoromethyl)-4-(2-methylbut-3-enamido)-1H-pyrazol-5-yl)pyridin-2-yl)but-3-en-1-yl)carbamate [ No CAS ]
YieldReaction ConditionsOperation in experiment
With pyridine; In ethyl acetate; at 0℃; for 2h; To a RBF was added (R)-tert-butyl (i-(4-(4-amino-i-(difluoromethyl)-iH-pyrazol-5 -yl)pyridin-2-yl)but-3 -en-i -yl)carbamate (3.37 g, 8.88 mmol), EtOAc (20 mL), 2-methylbut-3-enoic acid (0.889 g, 8.88 mmol) and pyridine (1.44 mL, 17.76 mmol). The solution was cooled in an ice bath and 2,4,6-tripropyl-i,3,5,2,4,6-trioxatriphosphorinane-2,4,6-trioxide (7.93 mL, 13.32 mmol) was added. The reaction was stirred at 0 C for 2 h. The reaction was then partitioned between EtOAc (100 ml) and sat NaHCO3 (100 ml). The organic layer was separated, washed with water (100 ml) and brine (100 ml), dried over MgSO4, filtered and concentrated. The residue was purified using ISCO system (0-80% EtOAc/Hex gradient) to give tert-butyl ((iR)-i-(4-(1 -(difluoromethyl)-4-(2-methylbut-3 -enamido)- 1 H-pyrazol-5 -yl)pyridin-2-yl)but-3 -en-i - yl)carbamate (3.33 g, 7.22 mmol, 81% yield) as a yellow oil. It was a mixture of 2 diastereomers. ?H NMR (500MHz, CDC13) oe 8.74 (d, J=5.0 Hz, iH), 8.36 (d, J=2.2 Hz, iH), 7.34 - 7.30 (m, iH), 7.28 - 7.24 (m, iH), 7.22 - 7.06 (m, 2H), 5.98 - 5.83 (m, iH), 5.76 - 5.65 (m, iH), 5.51 (br. s., iH), 5.28 - 5.18 (m, 2H), 5.15 - 5.03 (m, 2H), 4.86 (br.s., iH), 3.22 - 3.04 (m, iH), 2.66 (br. s., 2H), 1.50 - 1.42 (m, 9H), 1.33 (dd, J=7.0, 4.5 Hz, 3H); MS(ESI) m/z: 462.2 (M+H).
 

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