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[ CAS No. 5304-21-2 ]

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Chemical Structure| 5304-21-2
Chemical Structure| 5304-21-2
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Product Details of [ 5304-21-2 ]

CAS No. :5304-21-2 MDL No. :MFCD00466580
Formula : C8H6BrNS Boiling Point : 299.1°C at 760 mmHg
Linear Structure Formula :- InChI Key :N/A
M.W :228.11 g/mol Pubchem ID :138448
Synonyms :

Safety of [ 5304-21-2 ]

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

Application In Synthesis of [ 5304-21-2 ]

  • Upstream synthesis route of [ 5304-21-2 ]
  • Downstream synthetic route of [ 5304-21-2 ]

[ 5304-21-2 ] Synthesis Path-Upstream   1~19

  • 1
  • [ 562080-91-5 ]
  • [ 5304-21-2 ]
YieldReaction ConditionsOperation in experiment
29.5%
Stage #1: With copper(l) iodide; sodiumsulfide nonahydrate In N,N-dimethyl-formamide at 80℃; for 8 h;
Stage #2: With hydrogenchloride In water; N,N-dimethyl-formamide at 80℃; for 12 h;
Compound 10 (678 mg, 2.00 mmol)Was dissolved in dimethylformamide (4.00 mL)Sodium sulfide nonahydrate (721 mg, 6.00 mmol),Copper (I) iodide (38.0 mg, 0.200 mmol) was added,And the mixture was stirred at 80 ° C. for 8 hours.After returning to room temperature,Concentrated hydrochloric acid (1.6 mL) was added,And the mixture was further stirred at 80 ° C. for 12 hours.Saturated aqueous sodium hydrogen carbonate solution (20 mL) was added,And extracted with ethyl acetate (50 mL × 2).The organic layer was washed with saturated brine,After dehydration with anhydrous magnesium sulfate,The solvent was distilled off under reduced pressure,The residue was subjected to silica gel column chromatography using ethyl acetate / hexane (1/4 (volume ratio)) as an elution solvent,Compound 11 was obtained in a yield of 134 mg (29.5percent).
29.5% With copper(l) iodide; sodiumsulfide nonahydrate In N,N-dimethyl-formamide at 80℃; for 12 h; Compound 1 (678 mg, 2.00 mmol) synthesized by the method shown in Example 1-1 was dissolved in dimethylformamide (4.00 mL)Sodium sulfide nonahydrate (721 mg, 6.00 mmol),Copper (I) iodide (38.0 mg, 0.200 mmol) was added,And the mixture was stirred at 80 ° C. for 8 hours.The temperature was returned to room temperature, concentrated hydrochloric acid (1.6 mL) was added,And the mixture was further stirred at 80 ° C. for 12 hours.Saturated aqueous sodium hydrogen carbonate solution (20 mL) was added and extracted with ethyl acetate (50 mL × 2).The organic layer was washed with saturated brine,After dehydration with anhydrous magnesium sulfate, the solvent was distilled off under reduced pressure,The residue was subjected to silica gel column chromatography using ethyl acetate / hexane (1/4, volume ratio) as an elution solvent,Compound 2 was obtained in a yield of 134 mg (yield 29.5percent).
Reference: [1] Angewandte Chemie, International Edition, 2009, vol. 48, # 23, p. 4222 - 4225
[2] Journal of Medicinal Chemistry, 2015, vol. 58, # 18, p. 7241 - 7257
[3] Patent: JP2016/79108, 2016, A, . Location in patent: Paragraph 0055
[4] Patent: JP2015/89879, 2015, A, . Location in patent: Paragraph 0016; 0037; 0038; 0040
  • 2
  • [ 66416-72-6 ]
  • [ 62-55-5 ]
  • [ 5304-21-2 ]
Reference: [1] Chemistry Letters, 1987, p. 839 - 840
[2] Patent: WO2017/46739, 2017, A1, . Location in patent: Page/Page column 48; 49
  • 3
  • [ 80945-86-4 ]
  • [ 75-16-1 ]
  • [ 5304-21-2 ]
Reference: [1] Patent: EP2351744, 2011, A1, . Location in patent: Page/Page column 71
  • 4
  • [ 75-07-0 ]
  • [ 137-07-5 ]
  • [ 5304-21-2 ]
Reference: [1] Heterocycles, 2011, vol. 83, # 6, p. 1267 - 1274
  • 5
  • [ 66416-72-6 ]
  • [ 5304-21-2 ]
Reference: [1] Journal of Medicinal Chemistry, 2015, vol. 58, # 18, p. 7241 - 7257
[2] Patent: JP2016/79108, 2016, A,
[3] Patent: JP2015/89879, 2015, A,
  • 6
  • [ 113570-93-7 ]
  • [ 5304-21-2 ]
Reference: [1] Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1987, vol. 26, p. 930 - 934
  • 7
  • [ 113570-96-0 ]
  • [ 5304-21-2 ]
  • [ 107635-25-6 ]
Reference: [1] Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1987, vol. 26, p. 930 - 934
  • 8
  • [ 3460-23-9 ]
  • [ 5304-21-2 ]
Reference: [1] Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1987, vol. 26, p. 930 - 934
  • 9
  • [ 607-93-2 ]
  • [ 5304-21-2 ]
Reference: [1] Indian Journal of Chemistry, Section B: Organic Chemistry Including Medicinal Chemistry, 1987, vol. 26, p. 930 - 934
  • 10
  • [ 3288-19-5 ]
  • [ 5304-21-2 ]
Reference: [1] Journal fuer Praktische Chemie (Leipzig), 1965, vol. 30, p. 13 - 17
  • 11
  • [ 120-75-2 ]
  • [ 63837-11-6 ]
  • [ 5304-21-2 ]
  • [ 112146-10-8 ]
Reference: [1] Heterocycles, 2011, vol. 83, # 6, p. 1267 - 1274
  • 12
  • [ 20980-00-1 ]
  • [ 5304-21-2 ]
Reference: [1] Chemische Berichte, 1928, vol. 61, p. 2070
[2] Journal of the Chemical Society, 1936, p. 1225,1229
  • 13
  • [ 5304-17-6 ]
  • [ 5304-21-2 ]
Reference: [1] Journal fuer Praktische Chemie (Leipzig), 1965, vol. 30, p. 13 - 17
  • 14
  • [ 103-88-8 ]
  • [ 5304-21-2 ]
Reference: [1] Chemische Berichte, 1928, vol. 61, p. 2070
  • 15
  • [ 141-82-2 ]
  • [ 1985-12-2 ]
  • [ 5304-21-2 ]
Reference: [1] Tetrahedron, 2003, vol. 59, # 26, p. 4851 - 4856
  • 16
  • [ 2941-62-0 ]
  • [ 5304-21-2 ]
Reference: [1] Yakugaku Zasshi, 1957, vol. 77, p. 1161,1163, 1164[2] Chem.Abstr., 1958, p. 6319
  • 17
  • [ 120-75-2 ]
  • [ 7726-95-6 ]
  • [ 64-19-7 ]
  • [ 5304-21-2 ]
Reference: [1] Journal of the American Chemical Society, 1935, vol. 57, p. 1660,1661
  • 18
  • [ 120-75-2 ]
  • [ 63837-11-6 ]
  • [ 5304-21-2 ]
  • [ 112146-10-8 ]
Reference: [1] Heterocycles, 2011, vol. 83, # 6, p. 1267 - 1274
  • 19
  • [ 120-75-2 ]
  • [ 63837-11-6 ]
  • [ 5304-21-2 ]
  • [ 112146-10-8 ]
Reference: [1] Heterocycles, 2011, vol. 83, # 6, p. 1267 - 1274
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