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[ CAS No. 1146616-03-6 ]

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Chemical Structure| 1146616-03-6
Chemical Structure| 1146616-03-6
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CAS No. :1146616-03-6 MDL No. :MFCD18250638
Formula : C5H9BN2O2 Boiling Point : -
Linear Structure Formula :- InChI Key :N/A
M.W :139.95 g/mol Pubchem ID :53216598
Synonyms :

Safety of [ 1146616-03-6 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P280-P305+P351+P338 UN#:N/A
Hazard Statements:H302 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 1146616-03-6 ]

  • Downstream synthetic route of [ 1146616-03-6 ]

[ 1146616-03-6 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 1586044-82-7 ]
  • [ 1146616-03-6 ]
  • [ 1586040-90-5 ]
YieldReaction ConditionsOperation in experiment
Example 254 5-amino-N-(5-((2S,5R,6R)-5-amino-6-fluorooxepan-2-yl)-1-methyl-1H-pyrazol-4-yl)-2-(1,3-dimethyl-1H-pyrazol-4-yl)thiazole-4-carboxamide 254 Following the procedure for Example 101 starting from tert-butyl N-[2-bromo-4-[[5-[(2S,5R,6R)-5-(tert-butoxycarbonylamino)-6-fluoro-oxepan-2-yl]-1-methyl-pyrazol-4-yl]carbamoyl]thiazol-5-yl]carbamate (Intermediate 88), and replacing 3,6-dihydro-2H-pyran-4-boronic acid pinacol ester with <strong>[1146616-03-6](1,3-dimethyl-1H-pyrazol-4-yl)boronic acid</strong> gave 254. 1H NMR (400 MHz, DMSO-d6) delta 9.15 (s, 1H), 7.84 (s, 1H), 7.65 (s, 1H), 7.25 (s, 2H), 5.00-4.73 (m, 2H), 4.16-3.89 (m, 2H), 3.78 (s, 3H), 3.72 (s, 3H), 3.22 (dd, J=25.0, 9.5 Hz, 1H), 2.56 (s, 3H), 2.10-2.01 (m, 1H), 1.90-1.71 (m, 3H), 1.66-1.58 (m, 1H). LCMS (ES+) m/z 449 (M+1).
  • 2
  • [ 1586045-04-6 ]
  • [ 1146616-03-6 ]
  • [ 1586040-77-8 ]
YieldReaction ConditionsOperation in experiment
Example 241 N-(5-((2S,5R,6S)-5-amino-6-fluorooxepan-2-yl)-1-methyl-1H-pyrazol-4-yl)-2-(1,3-dimethyl-1H-pyrazol-4-yl)thiazole-4-carboxamide 241 Following the procedure for Example 101 starting from tert-butyl ((3S,4R,7S)-7-(4-(2-bromothiazole-4-carboxamido)-1-methyl-1H-pyrazol-5-yl)-3-fluorooxepan-4-yl)carbamate (Intermediate 99), and replacing 3,6-dihydro-2H-pyran-4-boronic acid pinacol ester with <strong>[1146616-03-6](1,3-dimethyl-1H-pyrazol-4-yl)boronic acid</strong> gave 241. 1H NMR (400 MHz, DMSO-d6) delta 9.63 (s, 1H), 8.28 (s, 1H), 8.24 (s, 1H), 7.84 (s, 1H), 4.95-4.83 (m, 1H), 4.83-4.62 (m, 1H), 4.42-4.28 (m, 1H), 4.24-4.05 (m, 1H), 3.83 (s, 3H), 3.78 (s, 3H), 3.48 (dd, J=17.3, 8.4 Hz, 1H), 2.47 (s, 3H), 2.15-2.06 (m, 1H), 1.87 (d, J=14.4 Hz, 4H). LCMS (ES+) m/z 434 (M+1).
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