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Chemical Structure| 1613253-78-3 Chemical Structure| 1613253-78-3

Structure of 1613253-78-3

Chemical Structure| 1613253-78-3

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Product Details of [ 1613253-78-3 ]

CAS No. :1613253-78-3
Formula : C7H13ClN4O2
M.W : 220.66
SMILES Code : O=C(C1=CN(CCCN)N=N1)OC.[H]Cl

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Application In Synthesis of [ 1613253-78-3 ]

* 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 [ 1613253-78-3 ]

[ 1613253-78-3 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 1613253-78-3 ]
  • [ 448-36-2 ]
  • [ 1613253-79-4 ]
YieldReaction ConditionsOperation in experiment
72% 2-Methoxy-4-trifluoromethyl-carboxylic acid (824 mg, 3.72 mmol) was combined withN,N-dimethylacetamide (30 ml) to give a colorless solution. Diisopropylethylamine (1.31 g, 1.77 ml, 10.2 mmol) was added and the reaction mixture cooled to 0 C. 2-(1H-7-Azabenzotriazol-1- yl)-1,1,3,3-tetramethyl uronium hexafluorophosphate methanaminium (1.42 g, 3.72 mmol) was added and the mixture was stirred in an ice bath for 1 hour. 1-(3-Amino-propyl)-1H- [1,2,3]triazole-4-carboxylic acid methyl ester, hydrochloric acid salt (747 mg, 3.39 mmol) wasadded and the reaction mixture was stuffed at room temperature overnight. The reaction mixture was partitioned between aqueous hydrochloric acid (1M) and ethyl acetate. The aqueous layer was extracted with ethyl acetate. The organic layers were combined, washed with a saturated aqueous solution of sodium hydrogencarbonate, water and brine then dried over sodium sulfate. The volatiles were removed in vacuo and the residue was purified by chromatography over silicagel (silica gel 70g, heptane/ethyl acetate 70:30 to 0:100). One fraction was isolated and dried in vacuo, affording 940 mg (72%) of 1- [3- (2-methoxy-4-trifluoromethyl-benzoylamino)-propyl] - 1H-[1,2,3]triazole-4-carboxylic acid methyl ester as a white solid. MS+ (mlz): 387.5 (M+H).
 

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