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[ CAS No. 83857-96-9 ]

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2D
Chemical Structure| 83857-96-9
Chemical Structure| 83857-96-9
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Product Details of [ 83857-96-9 ]

CAS No. :83857-96-9MDL No. :MFCD01934396
Formula : C8H11ClN2O Boiling Point : -
Linear Structure Formula :-InChI Key :-
M.W :186.64Pubchem ID :55176
Synonyms :

Computed Properties of [ 83857-96-9 ]

TPSA : 45.8 H-Bond Acceptor Count : 2
XLogP3 : 2.5 H-Bond Donor Count : 1
SP3 : 0.50 Rotatable Bond Count : 4

Safety of [ 83857-96-9 ]

Signal Word:WarningClass:N/A
Precautionary Statements:P280-P305+P351+P338UN#:N/A
Hazard Statements:H302Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 83857-96-9 ]

  • Upstream synthesis route of [ 83857-96-9 ]
  • Downstream synthetic route of [ 83857-96-9 ]

[ 83857-96-9 ] Synthesis Path-Upstream   1~3

  • 1
  • [ 83857-96-9 ]
  • [ 124750-99-8 ]
Reference: [1] Patent: WO2007/133040, 2007, A1,
  • 2
  • [ 83857-96-9 ]
  • [ 589-15-1 ]
  • [ 143722-29-6 ]
YieldReaction ConditionsOperation in experiment
89.9% With potassium carbonate In N,N-dimethyl acetamide; water; toluene EXAMPLE 14
2-n-Butyl-4-chloro-1-p-bromobenzyl-1H-imidazole-5-carboxaldehyde
A mixture of 2-n-butyl-4-chloro-1H-imidazole-5-carboxaldehyde (0.6 m=111.9 g), p-bromobenzylbromide (0.6 m=153.02 g), anhydrous potassium carbonate (0.75 m=103.5 g), and dry N,N-dimethylacetamide (900 mL) was stirred at room temperature for 4 hours.
The mixture was diluted with 1.2L of toluene and 1.8L of water.
After mixing for half an hour, the layers were separated.
The organic layer was washed two more times with 900 mL portions of water, then dried over magnesium sulfate.
The drying agent was removed by filtration and the filtrate was concentrated.
The residual oil was pumped overnight to a weight of 191.71 g (89.9percent yield).
89.9% With potassium carbonate In N,N-dimethyl acetamide; water; toluene EXAMPLE 14
2-n-Butyl-4-chloro-1-p-bromobenzyl-1H-imidazole-5-carboxaldehyde
A mixture of 2-n-butyl-4-chloro-1H-imidazole 5-carboxaldehyde (0.6 m=111.9 g), p-bromobenzylbromide (0.6 m=153.02 g), anhydrous potassium carbonate (0.75 m=103.5 g), and dry N,N-dimethylacetamide (900 mL) was stirred at room temperature for 4 hours.
The mixture was diluted with 1.2 L of toluene and 1.8 L of water.
After mixing for half an hour, the layers were separated.
The organic layer was washed two more times with 900 mL portions of water, then dried over magnesium sulfate.
The drying agent was removed by filtration and the filtrate was concentrated.
The residual oil was pumped overnight to a weight of 191.71 g (89.9percent yield).
Reference: [1] Patent: US5310928, 1994, A,
[2] Patent: US5130439, 1992, A,
  • 3
  • [ 83857-96-9 ]
  • [ 589-15-1 ]
  • [ 143722-29-6 ]
Reference: [1] Journal of Organic Chemistry, 1994, vol. 59, # 21, p. 6391 - 6394
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