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[ CAS No. 82961-51-1 ]

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2D
Chemical Structure| 82961-51-1
Chemical Structure| 82961-51-1
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Product Details of [ 82961-51-1 ]

CAS No. :82961-51-1MDL No. :MFCD11617780
Formula : C8H9ClS Boiling Point : -
Linear Structure Formula :-InChI Key :N/A
M.W :172.68Pubchem ID :54254977
Synonyms :

Computed Properties of [ 82961-51-1 ]

TPSA : - H-Bond Acceptor Count : -
XLogP3 : - H-Bond Donor Count : -
SP3 : - Rotatable Bond Count : -

Safety of [ 82961-51-1 ]

Signal Word:WarningClass:N/A
Precautionary Statements:P261-P305+P351+P338UN#:N/A
Hazard Statements:H302-H315-H319-H335Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 82961-51-1 ]

  • Downstream synthetic route of [ 82961-51-1 ]

[ 82961-51-1 ] Synthesis Path-Downstream   1~6

  • 1
  • [ 95-73-8 ]
  • [ 5188-07-8 ]
  • [ 53250-85-4 ]
  • [ 82961-51-1 ]
  • 2
  • [ 124-41-4 ]
  • [ 82961-51-1 ]
  • [ 82961-60-2 ]
  • 3
  • [ 82961-51-1 ]
  • [ 82961-53-3 ]
  • 4
  • [ 82961-51-1 ]
  • [ 82961-64-6 ]
  • 5
  • [ 540-80-7 ]
  • [ 624-92-0 ]
  • [ 95-79-4 ]
  • [ 82961-51-1 ]
YieldReaction ConditionsOperation in experiment
In chloroform; REFERENCE EXAMPLE 43 t-Butyl nitrite (4 ml) was added to a mixture of 5-chloro-2-methylaniline (4 g) and dimethyl disulphide (26.3 g) in chloroform. After the reaction started t-butyl nitrite (17.7 ml) and 5-chloro-2-methylaniline (16 g) were added simultaneously. The mixture was stirred at room temperature for 2 hours and left to stand overnight. The mixture was washed with water, aqueous hydrochloric acid (2M), water, dried (anhydrous magnesium sulphate) and filtered. The filtrate was evaporated to dryness to give 4-chloro-2-(methylsulphenyl)toluene (24.6 g) as a red oil, NMR (CDCl3): 2.2 (s,3H), 2.4 (s,3H), 6.85 (s,2H), 7.0 (s,1H).
In chloroform; EXAMPLE 6(a) t-Butyl nitrite (4ml) was added to a mixture of 5-chloro-2-methylaniline (4g) and dimethyl disulphide (26.3g) in chloroform. After the reaction started t-butyl nitrite (17.7ml) and 5-chloro-2-methylaniline (16g) were added simultaneously. The mixture was stirred at room temperature for 2 hours and left to stand overnight. The mixture was washed with water, aqueous hydrochloric acid (2M), water, dried (anhydrous magnesium sulphate) and filtered. The filtrate was evaporated to dryness to give 4-chloro-2-(methylsulphenyl)toluene (24.6g) as a red oil, NMR (CDCl3): 2.2 (s,3H), 6.85 (s,2H), 7.0 (s,1H).
In chloroform; REFERENCE EXAMPLE 7 t-Butyl nitrite (4ml) was added to a mixture of 5-chloro-2-methylaniline (4g) and dimethyl disulphide (26.3g) in chloroform. After the reaction started t-butyl nitrite (17.7ml) and 5-chloro-2-methylaniline (16g) were added simultaneously. The mixture was stirred at room temperature for 2 hours and left to stand overnight. The mixture was washed with water, aqueous hydrochloric acid (2m), water, dried (anhydrous magnesium sulphate) and filtered. The filtrate was evaporated to dryness to give 4-chloro-2-methylsulphenyltoluene (24.6g) as a red oil, NMR (CDCl3): 2.2 (s,3H), 6.85 (s,2H), 7.0 (s,1H).
  • 6
  • [ 540-80-7 ]
  • [ 624-92-0 ]
  • [ 95-79-4 ]
  • [ 142994-08-9 ]
  • [ 82961-51-1 ]
YieldReaction ConditionsOperation in experiment
In chloroform; EXAMPLE 14(a) t-Butyl nitrite (4ml) was added to a mixture of 5-chloro-2-methylaniline (4g) and dimethyl disulphide (26.3g) in chloroform. After the reaction started t-butyl nitrite (17.7ml) and 5-chloro-2-methylaniline (16g) were added simultaneously. The mixture was stirred at room temperature for 2 hours and left to stand overnight. The mixture was washed with water, aqueous hydrochloric acid (2M), water, dried (anhydrous magnesium sulphate) and filtered. The filtrate was evaporated to dryness to give 4-chloro-2-methylsulphenyltoluene (24.6g) as a red oil, NMR (CDCl3): 2.13 (s,3H), 2.2 (s,3H), 6.85 (s,2H), 7.0 (s,1H). By proceeding in a similar manner the following compounds were prepared from the appropriately substituted starting materials: 4-bromo-3-methylsulphenylbenzotrifluoride, b.p. 84-88C at 2 mm Hg; 2-fluoro-4-methylsulphenyltoluene, NMR (CDCl3): 2.2 (s,3H), 2.45 (s,3H), 6.6-7.1(m,3H).
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