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Chemical Structure| 581813-22-1 Chemical Structure| 581813-22-1

Structure of 581813-22-1

Chemical Structure| 581813-22-1

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Product Details of [ 581813-22-1 ]

CAS No. :581813-22-1
Formula : C12H11NO2
M.W : 201.22
SMILES Code : CC(C1=CC=CC2=C1C=CN=C2)C(O)=O
MDL No. :MFCD17227431

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Application In Synthesis of [ 581813-22-1 ]

* 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 [ 581813-22-1 ]

[ 581813-22-1 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 581813-22-1 ]
  • [ 94-98-4 ]
  • [ 581812-17-1 ]
YieldReaction ConditionsOperation in experiment
EXAMPLE 258 N-(2,4-dimethylbenzyl)-2-(5-isoquinolinyl)propanamide The title compound was prepared using the procedure described in Example 222B using <strong>[94-98-4]2,4-dimethylbenzylamine</strong> and 2-(5-isoquinolinyl)propanoic acid instead of 4-(trifluoromethoxy)benzylamine and 5-isoquinolinylacetic acid. MS (ESI+) m/z 319 (M+H)+; MS (ESI-) m/z 317 (M-H)-; 1H NMR (DMSO, 300 MHz) δ 1.52 (d, J 7.1, 3H), 2.13 (s, 3H), 2.21 (s, 3H), 4.20 (m, 2H), 4.51 (q, J 7.1, 1H), 6.88 (d, J 7.5, 1H), 6.94 (s, 1H), 6.98 (d, J 7.5, 1H), 7.82 (t, J 7.8, 1H), 7.99 (d, J 6.5, 1H), 8.21 (d, J 8.1, 1H), 8.35 (d, J 6.4, 1H), 8.44 (t, J 5.8, 1H), 8.62 (d, J 6.2, 1H), 9.57 (s, 1H).
EXAMPLE 258 N-(2,4-dimethylbenzyl)-2-(5-isoquinolinyl)propanamide The title compound was prepared using the procedure described in Example 222B using <strong>[94-98-4]2,4-dimethylbenzylamine</strong> and 2-(5-isoquinolinyl)propanoic acid instead of 4-(trifluoromethoxy)benzylamine and 5-isoquinolinylacetic acid. MS (ESI+) m/z 319 (M+H)+; MS (ESI-) m/z 317 (M-H)-; 1H NMR (DMSO, 300 MHz) δ 1.52 (d, J 7.1, 3H), 2.13 (s, 3H), 2.21 (s, 3H), 4.20 (m, 2H), 4.51 (q, J 7.1, 1H), 6.88 (d, J 7.5, 1H), 6.94 (s, 1H), 6.98 (d, J 7.5, 1H), 7.82 (t, J 7.8, 1H), 7.99 (d, J 6.5, 1H), 8.21 (d, J 8.1, 1H), 8.35 (d, J 6.4, 1H), 8.44 (t, J 5.8, 1H), 8.62 (d, J 6.2, 1H), 9.57 (s, 1H).
 

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