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[ CAS No. 70271-77-1 ]

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Chemical Structure| 70271-77-1
Chemical Structure| 70271-77-1
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CAS No. :70271-77-1 MDL No. :MFCD00173342
Formula : C12H10ClNO3 Boiling Point : -
Linear Structure Formula :- InChI Key :N/A
M.W :251.67 g/mol Pubchem ID :-
Synonyms :

Safety of [ 70271-77-1 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P264-P270-P271-P280-P301+P312+P330-P302+P352-P304+P340+P312-P305+P351+P338-P332+P313-P337+P313-P362-P403+P233-P405-P501 UN#:N/A
Hazard Statements:H302-H315-H319-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 70271-77-1 ]

  • Upstream synthesis route of [ 70271-77-1 ]
  • Downstream synthetic route of [ 70271-77-1 ]

[ 70271-77-1 ] Synthesis Path-Upstream   1~2

  • 1
  • [ 70271-77-1 ]
  • [ 23432-43-1 ]
Reference: [1] Journal of Heterocyclic Chemistry, 1997, vol. 34, # 1, p. 315 - 320
[2] Journal of the American Chemical Society, 1946, vol. 68, p. 1277
[3] Journal of the American Chemical Society, 1946, vol. 68, p. 1264
[4] Patent: US4560692, 1985, A,
  • 2
  • [ 70271-77-1 ]
  • [ 21168-41-2 ]
YieldReaction ConditionsOperation in experiment
90% With oxalyl dichloride; N,N-dimethyl-formamide In dichloromethane at 35 - 40℃; for 6.5 h; A mixture of ethyl-6-chloro-4-hydroxyquinoline-3-carboxylate DK-I-34-1 (85.1 g, 338.1 mmol), N,N- dimethylformamide (1.0 mL, 12.9 mmol), and dichloromethane (640 mL) was heated to 35- 40oC. Oxalyl chloride (47.2 g, 371.9 mmol) was added dropwise to the reaction mixture over 30 min. The reaction mixture was then heated for 6 h at reflux (38-40 oC). The resulting pale yellow solution was then cooled to 20-25 oC. The reaction mixture was then neutralized by slowly adding a 25percent solution of potassium carbonate (75 g) in water (300 mL). The layers were then separated and the aqueous layers extracted with dichloromethane (200 mL). The combined organic layers were then washed with a 25percent solution of potassium carbonate (50 g) in water (200 mL). The combined organic layers were then dried over magnesium sulfate. The solvents were then removed by evaporation on a rotovap and the product residue was slurried with hexanes (200 mL). The solid product was then filtered and washed twice with hexanes (50 mL x 2). The solid was dried to afford the product as an off- white solid DK-I-35-1 (81.9 g, 90percent): 1H NMR (300 MHz, DMSO) δ 9.13 (s, 1H), 8.30 (d, J = 2.2 Hz, 1H), 8.14 (d, J = 9.0 Hz, 1H), 7.97 (dd, J = 9.0, 2.3 Hz, 1H), 4.44 (q, J = 7.1 Hz, 2H), 1.39 (t, J = 7.1 Hz, 3H); 13C NMR (75 MHz, DMSO) δ 164.01, 150.53, 147.73, 141.04, 134.30, 133.34, 132.20, 126.53, 124.37, 124.08, 62.59; HRMS m/z calculated for C12H10Cl2NO2 (M+H)+ 270.0088 found 270.10.
Reference: [1] Patent: WO2016/196961, 2016, A1, . Location in patent: Paragraph 00148
[2] Journal of Medicinal Chemistry, 2018, vol. 61, # 6, p. 2422 - 2446
[3] Journal of Medicinal Chemistry, 2012, vol. 55, # 7, p. 3578 - 3582
[4] Journal of Medicinal Chemistry, 1993, vol. 36, # 11, p. 1669 - 1673
[5] Farmaco, 1998, vol. 53, # 8-9, p. 579 - 585
[6] Patent: US4202985, 1980, A,
Historical Records

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