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[ CAS No. 86-99-7 ]

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Chemical Structure| 86-99-7
Chemical Structure| 86-99-7
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Product Details of [ 86-99-7 ]

CAS No. :86-99-7 MDL No. :MFCD00006778
Formula : C9H6ClNO Boiling Point : 302.8°C at 760 mmHg
Linear Structure Formula :- InChI Key :-
M.W :179.60 g/mol Pubchem ID :66593
Synonyms :

Safety of [ 86-99-7 ]

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

Application In Synthesis of [ 86-99-7 ]

  • Upstream synthesis route of [ 86-99-7 ]
  • Downstream synthetic route of [ 86-99-7 ]

[ 86-99-7 ] Synthesis Path-Upstream   1~6

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Reference: [1] Tetrahedron Letters, 2009, vol. 50, # 35, p. 4989 - 4993
[2] Tetrahedron Letters, 2010, vol. 51, # 12, p. 1562 - 1565
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YieldReaction ConditionsOperation in experiment
70% With phosphorus tribromide In N,N-dimethyl-formamide at 20℃; for 1.5 h; Inert atmosphere At 0 C under an atmosphere of argon, phosphorus tribromide (5.8 mL, 0.079 moles, 1.10 equiv.) was added slowly to a solution of 7-chloro-4-hydroxyquinoline (13.02 g, 0.073 moles, 1.00 equiv.) in anhydrous DMF (150 mL, 0.5 M soln.). The reaction was allowed to warm to rt and followed by TLC. Complete consumption of starting material was observed after 90 minutes stirring. The reaction mixture was poured onto ice and the pH was rendered alkaline using solid sodium bicarbonate. This resulted in a white precipitate. The mixture was then filtered and the resulting solid was dried under vacuum affording an off-white solid (17.30 g, 99 percent). The material was recrystallised from ethyl acetate to give white needles (12.20 g, 70percent). Rj-= 0.70 (hex:EtoAc; 1:1); Mp = 99— 101 °C, EtoAc (lit., Eur.J. Org. Chem. 20024181.103 — 104°C,hex).
Reference: [1] Patent: WO2016/22956, 2016, A1, . Location in patent: Page/Page column 30
[2] Journal of Organic Chemistry, 2007, vol. 72, # 6, p. 2232 - 2235
[3] Patent: WO2010/30722, 2010, A1, . Location in patent: Page/Page column 44-45
[4] Organic Letters, 2018, vol. 20, # 4, p. 1195 - 1199
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  • [ 21295-51-2 ]
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Reference: [1] Patent: US5596002, 1997, A,
  • 4
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  • [ 54-05-7 ]
Reference: [1] Journal of Organic Chemistry, 2007, vol. 72, # 6, p. 2232 - 2235
[2] Journal of Heterocyclic Chemistry, 1997, vol. 34, # 1, p. 315 - 320
  • 5
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Reference: [1] Bioorganic and Medicinal Chemistry Letters, 2019, vol. 29, # 1, p. 97 - 102
  • 6
  • [ 21617-15-2 ]
  • [ 86-99-7 ]
  • [ 611-36-9 ]
Reference: [1] Patent: US4412076, 1983, A,
Historical Records

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