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Structure of 35975-57-6

Chemical Structure| 35975-57-6

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Product Details of [ 35975-57-6 ]

CAS No. :35975-57-6
Formula : C12H10BrNO3
M.W : 296.12
SMILES Code : O=C(C1=C(O)C2=CC=CC(Br)=C2N=C1)OCC
MDL No. :MFCD00173380
InChI Key :XDDQBYKFJZYKPE-UHFFFAOYSA-N
Pubchem ID :676056

Safety of [ 35975-57-6 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302
Precautionary Statements:P280-P305+P351+P338

Application In Synthesis of [ 35975-57-6 ]

* 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 [ 35975-57-6 ]
  • Downstream synthetic route of [ 35975-57-6 ]

[ 35975-57-6 ] Synthesis Path-Upstream   1~1

  • 1
  • [ 35975-57-6 ]
  • [ 206258-97-1 ]
YieldReaction ConditionsOperation in experiment
1.8 g at 80℃; for 3 h; A solution of ethyl 8-bromo-4-hydroxyquinoline-3-carboxylate (2.0 g, 6.75 mmol) in POCl3 (10 mL) was heated at 80° C. for 3 h.
Then the volatiles were removed and ice-water was added to the residue.
The precipitated solid was filtered and dried to afford 1.8 g of the title product. 1H NMR (300 MHz, DMSO d6): δ 9.26 (s, 1H), 8.44-8.37 (m, 2H), 7.79-7.64 (t, J=7.8 Hz, 1H), 4.48-4.43 (q, J=7.2, 14.1 Hz, 2H), 1.41-1.36 (t, J=6.9 Hz, 3H); MS (m/z): 314.01 (M+H)+.
References: [1] Bioorganic and Medicinal Chemistry Letters, 2003, vol. 13, # 8, p. 1487 - 1490.
[2] Patent: US2013/210844, 2013, A1, . Location in patent: Paragraph 0338; 0339.
[3] Patent: CN108623590, 2018, A, . Location in patent: Paragraph 0149.
[4] Patent: WO2019/25341, 2019, A1, . Location in patent: Page/Page column 121.
 

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