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[ CAS No. 197960-31-9 ] {[proInfo.proName]}

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Cat. No.: {[proInfo.prAm]}
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Chemical Structure| 197960-31-9
Chemical Structure| 197960-31-9
Structure of 197960-31-9 * Storage: {[proInfo.prStorage]}
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Product Details of [ 197960-31-9 ]

CAS No. :197960-31-9 MDL No. :MFCD03659720
Formula : C8H6ClNO2S Boiling Point : -
Linear Structure Formula :- InChI Key :-
M.W :215.66 Pubchem ID :-
Synonyms :

Safety of [ 197960-31-9 ]

Signal Word:Danger Class:8
Precautionary Statements:P260-P261-P264-P270-P271-P280-P301+P310+P330+P331-P303+P361+P353+P310-P304+P340+P310-P305+P351+P338+P310-P363-P405-P501 UN#:3261
Hazard Statements:H302-H312-H314-H332 Packing Group:
GHS Pictogram:

Application In Synthesis of [ 197960-31-9 ]

* 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 [ 197960-31-9 ]

[ 197960-31-9 ] Synthesis Path-Downstream   1~4

  • 1
  • aqueous sodium nitrite [ No CAS ]
  • copper(I) sulfate [ No CAS ]
  • [ 26830-96-6 ]
  • sodium hydrogensulfite [ No CAS ]
  • [ 197960-31-9 ]
YieldReaction ConditionsOperation in experiment
52% In hydrogenchloride; dichloromethane; water; b) 2-Cyano-5-methylbenzenesulfonyl chloride To a solution of 2-amino-4-methylbenzonitrile (2.65 g, 20 mmol), as prepared in the preceding step, in 30% aqueous HCl (7 mL) was added 40% aqueous sodium nitrite (6 mL) at 0-5 C. After 15 minute, to the diazo solution were added 30% HCl (15 mL), copper sulfate (100 mg) and 40% aqueous sodium bisulfite (15 mL) at 5-10 C. The mixture was stirred for 30 minute, then additional water (50 mL) was added. The mixture was extracted into dichloromethane (3*50 mL), and the dichloromethane solution was washed with brine (50 mL) and dried over Na2 SO4. After removing the solvent in vacuo, the residue was purified by flash column chromatography (2:1 dichloromethane/hexane) to give the title compound as a white solid (2.1 g, 52%). 1 H-NMR (300 MHz, CDCl3) delta 8.03 (s, 1H), 7.87 (d, J=7.8 Hz, 1H), 7.66 (d, J=7.8 Hz, 1H), 2.59 (s, 3H).
  • 2
  • [ 197960-31-9 ]
  • [ 6153-39-5 ]
  • [ 197960-32-0 ]
YieldReaction ConditionsOperation in experiment
69% In diethyl ether; dichloromethane; sodium hydrogencarbonate; ethyl acetate; c) 3-(2-Cyano-5-methylphenylsulfonyloxy)-5-methylphenol <strong>[6153-39-5]Orcinol monohydrate</strong> (1.42 g, 10.0 mmol) and 2-cyano-5-methylbenzene-sulfonyl chloride (2.0 g, 9.0 mmol), as prepared in the preceding step, were mixed in saturated aqueous NaHCO3 (30 mL) and diethyl ether (30 mL). The biphasic mixture was stirred vigorously at ambient temperature overnight. The reaction mixture was diluted with water (50 mL) and extracted into ethyl acetate (3*50 mL). The organic phase was washed with brine (2*50 mL) and dried over Na2 SO4. After removing the solvent in vacuo, the residue was purified by flash column chromatography (dichloromethane to 4% ethyl acetate in dichloromethane) to give the title compound as a pale yellow oil (2.1 g, 69%). 1 H-NMR (300 MHz, CDCl3) delta 7.91 (s, 1H), 7.81 (d, J=7.8 Hz, 1H), 7.57 (d, J=7.9 Hz, 1H), 6.59 (s, 1H), 6.58 (s, 1H), 6.51 (s, 1H), 5.61 (s, 1H), 2.51 (s, 3H), 2.29 (s, 3H).
  • 3
  • [ 504-15-4 ]
  • [ 197960-31-9 ]
  • [ 197960-32-0 ]
YieldReaction ConditionsOperation in experiment
69% With sodium hydrogencarbonate In diethyl ether; water at 20℃; 30.c c) c) 3-(2-Cyano-5-methylphenylsulfonyloxy)-5-methylphenol Orcinol monohydrate (1.42 g, 10.0 mmol) and 2-cyano-5-methylbenzenesulfonyl chloride (2.0 g, 9.0 mmol), as prepared in the preceding step, were mixed in saturated aqueous NaHCO3 (30 mL) and diethyl ether (30 mL). The biphasic mixture was stirred vigorously at ambient temperature overnight. The reaction mixture was diluted with water (50 mL) and extracted into ethyl acetate (3 x 50 mL). The organic phase was washed with brine (2 x 50 mL) and dried over Na2SO4. After removing the solvent in vacuo, the residue was purified by flash column chromatography (dichloromethane to 4% ethyl acetate in dichloromethane) to give the title compound as a pale yellow oil (2.1 g, 69%). 1H-NMR (300 MHz, CDCl3) δ 7.91 (s, 1H), 7.81 (d, J = 7.8 Hz, 1H), 7.57 (d, J = 7.9 Hz, 1H), 6.59 (s, 1H), 6.58 (s, 1H), 6.51 (s, 1H), 5.61 (s, 1H), 2.51 (s, 3H), 2.29 (s, 3H).
  • 4
  • [ 116797-02-5 ]
  • [ 197960-31-9 ]
  • 4-methyl-2-((4-methyl-[1,4'-bipiperidin]-1'-yl)sulfonyl)benzonitrile [ No CAS ]
YieldReaction ConditionsOperation in experiment
94% With N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃;
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