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[ CAS No. 2486-71-7 ]

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Chemical Structure| 2486-71-7
Chemical Structure| 2486-71-7
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CAS No. :2486-71-7 MDL No. :MFCD00460423
Formula : C7H6ClNO2 Boiling Point : 341.2°C at 760 mmHg
Linear Structure Formula :- InChI Key :-
M.W :171.58 g/mol Pubchem ID :17211
Synonyms :

Safety of [ 2486-71-7 ]

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 [ 2486-71-7 ]

  • Upstream synthesis route of [ 2486-71-7 ]
  • Downstream synthetic route of [ 2486-71-7 ]

[ 2486-71-7 ] Synthesis Path-Upstream   1~12

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Reference: [1] Journal of Organic Chemistry USSR (English Translation), 1991, vol. 27, # 11.2, p. 2132 - 2142[2] Zhurnal Organicheskoi Khimii, 1991, vol. 27, # 11, p. 2401 - 2412
[3] Journal of Organic Chemistry USSR (English Translation), 1991, vol. 27, # 11.2, p. 2132 - 2142[4] Zhurnal Organicheskoi Khimii, 1991, vol. 27, # 11, p. 2401 - 2412
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YieldReaction ConditionsOperation in experiment
92%
Stage #1: With sodium hydroxide In ethanol; water for 2 h; Heating / reflux
Stage #2: Acidic aqueous solution
4-Amino-3-chloro-N-thiazol-2-yl-benzamide : 4-Amino-3-chloro-benzoic acid methyl ester (21.6 mmol) was saponified in EtOH (25 ml) and NaOH (1M, 25 ml) at reflux for 2h. The organic solvent was evaporated and pH adjusted to 4. The product was removed by filtration, washed with water and dried in vacuo. Yield: 92percent 1H NMR (D6-DMSO) : 6.15 (s, 2H); 6.79 (d, 1H); 7.59 (dd, 1H); 7.71 (d, 1H); 12.37 (br s, 1H).
92% for 2 h; Heating / reflux 4-Amino-3-chloro-benzoic acid methyl ester (21.6 mmol) was saponified in EtOH (25 ml) and NaOH (IM5 25 ml) at reflux for 2h. The organic solvent was evaporated and pH adjusted to 4. The product was removed by filtration, washed with water and dried in vacuo to give A- amino-3-chloro-benzoic acid.Yield: 92percentIH NMR (D6-DMSO): 6.15 (s, 2H); 6.79 (d, IH); 7.59 (dd, IH); 7.71 (d, IH); 12.37 (br s,IH).
Reference: [1] Patent: WO2005/39572, 2005, A1, . Location in patent: Page/Page column 25
[2] Patent: WO2006/114093, 2006, A1, . Location in patent: Page/Page column 37
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Reference: [1] Patent: US6531474, 2003, B1,
[2] Journal of Medicinal Chemistry, 1999, vol. 42, # 25, p. 5277 - 5283
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Reference: [1] Patent: WO2005/115147, 2005, A2, . Location in patent: Page/Page column 40
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Reference: [1] Patent: US6028111, 2000, A,
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Reference: [1] Organic Process Research and Development, 1999, vol. 3, # 3, p. 196 - 200
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Reference: [1] Journal of the American Chemical Society, 1944, vol. 66, p. 1631
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Reference: [1] Journal of the American Chemical Society, 1944, vol. 66, p. 1631
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  • [ 556-08-1 ]
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Reference: [1] Journal of Organic Chemistry USSR (English Translation), 1991, vol. 27, # 11.2, p. 2132 - 2142[2] Zhurnal Organicheskoi Khimii, 1991, vol. 27, # 11, p. 2401 - 2412
[3] Journal of Organic Chemistry USSR (English Translation), 1991, vol. 27, # 11.2, p. 2132 - 2142[4] Zhurnal Organicheskoi Khimii, 1991, vol. 27, # 11, p. 2401 - 2412
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YieldReaction ConditionsOperation in experiment
100% at 0℃; for 12 h; Reflux Example 1128-Chloro-3 ,3 -dimethyl-2- (3 -morpholin-4-yl-phenyl)- 1 ,2,3 ,4-tetrahydro-quinoline-6- carboxylic acidTo a stirred solution of 4-amino-3-chloro-benzoic acid (50 g, 291 mmol) in methanol (300 mL) was added thionyl chloride (45 mL, 605 mmol) dropewise at 0 °C. Then the mixture solution was refluxed for 12 hours before cooling to room temperature. Then the reaction mixture was concentrated in vacuo and the residue was dissolved in ethyl acetate (500 mL), washed with saturated aqueous sodium bicarbonate solution (3 x 100 mL), dried over anhydrous sodium sulfate and concentrated in vacuo to afford 4-amino-3-chloro- benzoic acid methyl ester (54 g, quant.) as a pale-white solid: LC/MS m/e calcd for C8H8C1N02 (M+H)+: 186.61, observed: 185.9.
100% at 0℃; for 12 h; Reflux To a stirred solution of 4-amino-3-chloro-benzoic acid (50 g, 291 mmol) in methanol (300 mL) was added thionyl chloride (45 mL, 605 mmol) dropewise at 0° C. Then the mixture solution was refluxed for 12 hours before cooling to room temperature. Then the reaction mixture was concentrated in vacuo and the residue was dissolved in ethyl acetate (500 mL), washed with saturated aqueous sodium bicarbonate solution (3.x.100 mL), dried over anhydrous sodium sulfate and concentrated in vacuo to afford 4-amino-3-chloro-benzoic acid methyl ester (54 g, quant.) as a pale-white solid: LC/MS m/e calcd for C8H8ClNO2 (M+H)+: 186.61, observed: 185.9.
97% at 0 - 80℃; for 6 h; To a stirring solution of 4-amino-3-chlorobenzoic acid (2.00 g, 1 1.7 mmol) in methanol (20.0 mL) at 0 °C was added concentrated H2S04 (2.00 mL) slowly. The resulting mixture was heated at 80 °C for 6 h. The reaction mixture was cooled to rt and then concentrated under reduced pressure. The residue was diluted with sat. aq. NaHC03 and extracted with ethyl acetate (2 x 50 mL). The combined organics were washed with brine, dried over anhydrous Na2S04 and then concentrated in vacuo to afford methyl 4-amino-3-chlorobenzoate (2.10 g, 97percent). -NMR (400 MHz, DMSO-c/6): δ ppm: 7.70 (d, J = 1.6 Hz, 1H), 7.58 (dd, J = 8.4, 2.0 Hz, 1H), 6.77 (d, J = 8.8 Hz, 1H), 6.24 (s, 2H), 3.73 (s, 3H)
Reference: [1] Patent: WO2011/128251, 2011, A1, . Location in patent: Page/Page column 203
[2] Patent: US2011/257151, 2011, A1, . Location in patent: Page/Page column 75
[3] Patent: WO2018/157190, 2018, A1, . Location in patent: Paragraph 0337
[4] Journal of Cellular Biochemistry, 2017, vol. 118, # 8, p. 2420 - 2429
[5] Journal of Medicinal Chemistry, 2018, vol. 61, # 3, p. 666 - 680
[6] Patent: EP2697246, 2018, B1, . Location in patent: Paragraph 0262; 0263
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Reference: [1] Journal of Medicinal Chemistry, 1999, vol. 42, # 25, p. 5277 - 5283
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Reference: [1] Journal of Medicinal Chemistry, 2011, vol. 54, # 22, p. 7815 - 7833
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