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[ CAS No. 5510-10-1 ] {[proInfo.proName]}

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Chemical Structure| 5510-10-1
Chemical Structure| 5510-10-1
Structure of 5510-10-1 * Storage: {[proInfo.prStorage]}
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Product Details of [ 5510-10-1 ]

CAS No. :5510-10-1 MDL No. :
Formula : C9H9NO3S Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W :211.24 Pubchem ID :-
Synonyms :

Safety of [ 5510-10-1 ]

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Application In Synthesis of [ 5510-10-1 ]

* 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.

  • Downstream synthetic route of [ 5510-10-1 ]

[ 5510-10-1 ] Synthesis Path-Downstream   1~4

  • 2
  • [ 40913-92-6 ]
  • [ 5510-10-1 ]
  • C17H15NO6S2 [ No CAS ]
YieldReaction ConditionsOperation in experiment
Stage #1: 2-methyl-2H-1,2-benzothiazine-4-(3H)-one-1,1-dioxyde With sodium hydride In N,N-dimethyl-formamide at 0℃; for 0.166667h; Inert atmosphere; Stage #2: 4-methylsulfonylbenzoyl chloride In N,N-dimethyl-formamide at 25℃; for 1.33333h; Inert atmosphere; 5.8. General procedure for compounds (4j-4w) General procedure: A solution of compound 8 (1.1 g, 5 mmol) in DMF (10 mL) was added to sodium hydride (0.26 g, 7.5 mmol of a 60% suspension in mineral oil which had been washed with benzene by decantation) at 0 °C. After stirring for 10 min, 4-nitrobenzoyl chloride was added during 20 min. The solution was stirred at 25 °C for 1 h and then evaporated. The residue was suspended in water and extracted with ethyl acetate. The combined organic phase was dried with anhydrous sodium sulfate, filtered and removed by rotary evaporation to yield 9a as brown viscous oil, which was used in the next step without further purification. A solution of compound 9a (1.0 g, 2.7 mmol) in dichloromethane (10 mL) was added to triethylamine (0.4 g, 4 mmol), 18-crown-6 (71 mg, 0.3 mmol) and potassium cyanide (91 mg, 1.4 mmol). The mixture was stirred at 25 °C for 48 h. The mixture was poured into water and extracted with dichloromethane. The combined organic phase was dried with anhydrous sodium sulfate, filtered and removed by rotary evaporation. The residue was scratched from ethyl acetate and ethanol (1/1 by volume) to give desired product to 4j as a yellow solid (734 mg, yield: 41%). The rest of compounds were prepared by the similar procedure to 4j. Data for (4j): Yield 41%; yellow solid; mp 196-197 °C; 1H NMR (400 MHz, CDCl3) δ: 15.45 (s, 1H), 8.42-8.36 (m, 2H), 8.35-8.29 (m, 2H), 8.27-8.18 (m, 1H), 7.98-7.95 (m, 1H), 7.91-7.82 (m, 2H), 2.70 (s, 3H); 13C NMR (100 MHz, CDCl3) δ: 188.3, 170.8, 149.9, 140.2, 136.3, 134.3, 133.2, 130.5, 128.3, 128.0, 124.6, 123.7, 119.1, 40.4; HRMS: calcd for C16H12N2O6S [M+H]+ 361.0416, found 361.0492.
  • 3
  • [ 21900-54-9 ]
  • [ 5510-10-1 ]
  • C16H11ClFNO4S [ No CAS ]
YieldReaction ConditionsOperation in experiment
Stage #1: 2-methyl-2H-1,2-benzothiazine-4-(3H)-one-1,1-dioxyde With sodium hydride In N,N-dimethyl-formamide at 0℃; for 0.166667h; Inert atmosphere; Stage #2: 2-chloro-4-fluorobenzoyl chloride In N,N-dimethyl-formamide at 25℃; for 1.33333h; Inert atmosphere; 5.8. General procedure for compounds (4j-4w) General procedure: A solution of compound 8 (1.1 g, 5 mmol) in DMF (10 mL) was added to sodium hydride (0.26 g, 7.5 mmol of a 60% suspension in mineral oil which had been washed with benzene by decantation) at 0 °C. After stirring for 10 min, 4-nitrobenzoyl chloride was added during 20 min. The solution was stirred at 25 °C for 1 h and then evaporated. The residue was suspended in water and extracted with ethyl acetate. The combined organic phase was dried with anhydrous sodium sulfate, filtered and removed by rotary evaporation to yield 9a as brown viscous oil, which was used in the next step without further purification. A solution of compound 9a (1.0 g, 2.7 mmol) in dichloromethane (10 mL) was added to triethylamine (0.4 g, 4 mmol), 18-crown-6 (71 mg, 0.3 mmol) and potassium cyanide (91 mg, 1.4 mmol). The mixture was stirred at 25 °C for 48 h. The mixture was poured into water and extracted with dichloromethane. The combined organic phase was dried with anhydrous sodium sulfate, filtered and removed by rotary evaporation. The residue was scratched from ethyl acetate and ethanol (1/1 by volume) to give desired product to 4j as a yellow solid (734 mg, yield: 41%). The rest of compounds were prepared by the similar procedure to 4j. Data for (4j): Yield 41%; yellow solid; mp 196-197 °C; 1H NMR (400 MHz, CDCl3) δ: 15.45 (s, 1H), 8.42-8.36 (m, 2H), 8.35-8.29 (m, 2H), 8.27-8.18 (m, 1H), 7.98-7.95 (m, 1H), 7.91-7.82 (m, 2H), 2.70 (s, 3H); 13C NMR (100 MHz, CDCl3) δ: 188.3, 170.8, 149.9, 140.2, 136.3, 134.3, 133.2, 130.5, 128.3, 128.0, 124.6, 123.7, 119.1, 40.4; HRMS: calcd for C16H12N2O6S [M+H]+ 361.0416, found 361.0492.
  • 4
  • [ 59615-16-6 ]
  • [ 5510-10-1 ]
  • C16H11Br2NO4S [ No CAS ]
YieldReaction ConditionsOperation in experiment
General procedure: A solution of compound 8 (1.1 g, 5 mmol) in DMF (10 mL) was added to sodium hydride (0.26 g, 7.5 mmol of a 60% suspension in mineral oil which had been washed with benzene by decantation) at 0 C. After stirring for 10 min, 4-nitrobenzoyl chloride was added during 20 min. The solution was stirred at 25 C for 1 h and then evaporated. The residue was suspended in water and extracted with ethyl acetate. The combined organic phase was dried with anhydrous sodium sulfate, filtered and removed by rotary evaporation to yield 9a as brown viscous oil, which was used in the next step without further purification. A solution of compound 9a (1.0 g, 2.7 mmol) in dichloromethane (10 mL) was added to triethylamine (0.4 g, 4 mmol), 18-crown-6 (71 mg, 0.3 mmol) and potassium cyanide (91 mg, 1.4 mmol). The mixture was stirred at 25 C for 48 h. The mixture was poured into water and extracted with dichloromethane. The combined organic phase was dried with anhydrous sodium sulfate, filtered and removed by rotary evaporation. The residue was scratched from ethyl acetate and ethanol (1/1 by volume) to give desired product to 4j as a yellow solid (734 mg, yield: 41%). The rest of compounds were prepared by the similar procedure to 4j. Data for (4j): Yield 41%; yellow solid; mp 196-197 C; 1H NMR (400 MHz, CDCl3) delta: 15.45 (s, 1H), 8.42-8.36 (m, 2H), 8.35-8.29 (m, 2H), 8.27-8.18 (m, 1H), 7.98-7.95 (m, 1H), 7.91-7.82 (m, 2H), 2.70 (s, 3H); 13C NMR (100 MHz, CDCl3) delta: 188.3, 170.8, 149.9, 140.2, 136.3, 134.3, 133.2, 130.5, 128.3, 128.0, 124.6, 123.7, 119.1, 40.4; HRMS: calcd for C16H12N2O6S [M+H]+ 361.0416, found 361.0492.
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