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Chemical Structure| 120629-58-5 Chemical Structure| 120629-58-5

Structure of 120629-58-5

Chemical Structure| 120629-58-5

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Product Details of [ 120629-58-5 ]

CAS No. :120629-58-5
Formula : C7H8N2O2
M.W : 152.15
SMILES Code : O=C(N)C1=CC=C(O)C(N)=C1
MDL No. :MFCD12172893

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Application In Synthesis of [ 120629-58-5 ]

* 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 [ 120629-58-5 ]

[ 120629-58-5 ] Synthesis Path-Downstream   1~2

  • 1
  • [ 1204-06-4 ]
  • [ 120629-58-5 ]
  • 3-[3-(1H-indol-3-yl)acrylamido]-4-hydroxybenzamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
In N,N-dimethyl-formamide; 1-8. Synthesis of Low-Molecular-Weight Compound ID-1029 (8g) The low-molecular-weight compound ID-1029 (3-[3-(1H-indol-3-yl)-acrylamido]-4-hydroxybenzamide (8g)) was prepared in the following manner. Trans-3-indoleacrylic acid (7a, 300 mg, 1.6 mmol) and 3-amino-4-hydroxybenzamide (3b, 243 mg, 1.6 mmol) were dissolved in DMF, and PyBOP (1.7 g, 3.2 mmol) and DIPEA (0.84 mL, 4.8 mmol) were added thereto. The reaction solution was stirred overnight at room temperature. The resulting material was separated and purified to obtain 3-[3-(1H-indol-3-yl)-acrylamido]-4-hydroxybenzamide (ID-1029) as a yellow solid. 1H NMR (CD3OD, 400 MHz) d=8.08 (s, 1H), 7.98 (d, J=15.2 Hz, 1H), 7.91 (d, J=8.0 Hz, 1H), 7.88 (dd, J=1.6 Hz, J=8.4 Hz, 1H), 7.69 (s, 1H), 7.45-7.47 (m, 2H), 7.21-7.27 (m, 2H), 6.78 (d, J=15.6 Hz, 1H).
  • 2
  • [ 1204-06-4 ]
  • [ 120629-58-5 ]
  • 3-[3-(1H-indol-3-yl)acrylamido]-4-hydroxybenzamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
With benzotriazol-1-yloxyl-tris-(pyrrolidino)-phosphonium hexafluorophosphate; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 20℃; 1-8. Synthesis of low-molecular-weight compound ID-1029 (8g) The low-molecular-weight compound ID-1029 (3-[3-(1H-indol-3-yl)-acrylamido]-4-hydroxybenzamide (8g)) was prepared in the following manner. Trans-3-indoleacrylic acid (7a, 300 mg, 1.6 mmol) and 3-amino-4-hydroxybenzamide (3b, 243 mg, 1.6 mmol) were dissolved in DMF, and PyBOP (1.7 g, 3.2 mmol) and DIPEA (0.84 mL, 4.8 mmol) were added thereto. The reaction solution was stirred overnight at room temperature. The resulting material was separated and purified to obtain 3-[3-(1H-indol-3-yl)-acrylamido]-4-hydroxybenzamide (ID-1029) as a yellow solid. 1H NMR (CD3OD, 400 MHz) d = 8.08 (s, 1H), 7.98 (d, J = 15.2 Hz, 1H), 7.91 (d, J = 8.0 Hz, 1H), 7.88 (dd, J = 1.6 Hz, J = 8.4 Hz, 1H), 7.69 (s, 1H), 7.45-7.47 (m, 2H), 7.21-7.27 (m, 2H), 6.78 (d, J = 15.6 Hz, 1H).
 

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