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Chemical Structure| 233278-54-1 Chemical Structure| 233278-54-1

Structure of 233278-54-1

Chemical Structure| 233278-54-1

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Product Details of [ 233278-54-1 ]

CAS No. :233278-54-1
Formula : C4H6ClN3
M.W : 131.56
SMILES Code : CN1N=C(CCl)N=C1
MDL No. :MFCD06738967

Safety of [ 233278-54-1 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H302-H335-H314
Precautionary Statements:P260-P264-P270-P271-P280-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P363-P403+P233-P405-P501
Class:8
UN#:3265
Packing Group:

Application In Synthesis of [ 233278-54-1 ]

* 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 [ 233278-54-1 ]

[ 233278-54-1 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 135242-93-2 ]
  • [ 233278-54-1 ]
YieldReaction ConditionsOperation in experiment
In thionyl chloride; c 3-Chloromethyl-1-methyl-1H-1,2,4-triazole (1-Methyl-1H-1,2,4-triazol-3-yl)methanol (500 mg, 4.4 mmol) (prepared using the conditions described in EP-A-421210) was added portionwise to thionyl chloride (5 ml) at 0° C. Upon complete addition the mixture was allowed to warm to room temperature, then heated at reflux for 45 minutes (gas evolution observed). Upon cooling the thionyl chloride was removed in vacuo. The residue was partitioned between dichloromethane and aqueous sodium hydrogen carbonate. The aqueous phase was further extracted with dichloromethane (x2). The combined extracts were dried (Na2SO4), filtered and evaporated to give the title chloride (570 mg), as an oil. This material was used without further purification. Data for the title compound: 1H NMR (250 MHz, CDCl3) delta 3.92 (3H, s), 4.63 (2H, s), 8.10 (1H, s). MS (ES+) m/e 133 [MH]+, 131 [MH]+.
 

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