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[ CAS No. 939-16-2 ] {[proInfo.proName]}

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3d Animation Molecule Structure of 939-16-2
Chemical Structure| 939-16-2
Chemical Structure| 939-16-2
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Product Details of [ 939-16-2 ]

CAS No. :939-16-2 MDL No. :MFCD09029798
Formula : C9H6BrNO Boiling Point : -
Linear Structure Formula :- InChI Key :AGARPHPERRYPRP-UHFFFAOYSA-N
M.W : 224.05 Pubchem ID :268338
Synonyms :

Safety of [ 939-16-2 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 939-16-2 ]

* 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.

  • Upstream synthesis route of [ 939-16-2 ]
  • Downstream synthetic route of [ 939-16-2 ]

[ 939-16-2 ] Synthesis Path-Upstream   1~4

  • 1
  • [ 939-16-2 ]
  • [ 613-18-3 ]
  • [ 101870-60-4 ]
Reference: [1] Synthetic Communications, 2000, vol. 30, # 3, p. 427 - 432
  • 2
  • [ 939-16-2 ]
  • [ 101870-60-4 ]
YieldReaction ConditionsOperation in experiment
89% With trichlorophosphate In acetonitrile at 20℃; for 3 h; Reflux To a stirred suspension of 3-bromo-1H-quinolin-2-one (15) (4.16 g, 18.57 mmol) in acetonitrile (30 mL) phosphorus oxychloride (3.42 g, 22.28 mmol) was added dropwise at room temperature.
The reaction mixture was refluxed for 3 h.
After cooling to room temperature it was poured on crushed ice (70 mL) and the pH was adjusted to 9 with potassium carbonate solution (10percent, 40 mL).
The resulting precipitate was filtered off, washed with water and dried in vacuo.
The title compound was obtained as a white solid (4.00 g, 89percent), mp 101-103 °C (lit.,
34
mp 96-98 °C); 1H NMR (DMSO-d6, 400 MHz) δ 8.95 (s, 1H), 8.03 (d, 1H, J=8.0 Hz), 7.98 (d, 1H, J=8.8 Hz), 7.90-7.84 (m, 1H), 7.74-7.69 (m, 1H); 13C NMR (DMSO-d6, 400 MHz) δ 148.1, 145.4, 142.1, 131.3, 128.1, 127.8, 127.6, 127.2, 115.6; C9H5BrClN (242.50); LCMS (ESI+) m/z 242, 244 [M+H]+; Anal. Calcd for C9H5BrClN (242.50) C, 44.58; H, 2.08; N, 5.78. Found: C, 44.46; H, 2.07; N, 5.79.
Reference: [1] Tetrahedron, 2013, vol. 69, # 45, p. 9512 - 9519
[2] Organic and Biomolecular Chemistry, 2016, vol. 14, # 40, p. 9622 - 9628
  • 3
  • [ 939-16-2 ]
  • [ 613-18-3 ]
  • [ 101870-60-4 ]
Reference: [1] Synthetic Communications, 2000, vol. 30, # 3, p. 427 - 432
  • 4
  • [ 939-16-2 ]
  • [ 886853-93-6 ]
Reference: [1] Organic and Biomolecular Chemistry, 2016, vol. 14, # 40, p. 9622 - 9628
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