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Chemical Structure| 1613134-38-5 Chemical Structure| 1613134-38-5

Structure of 1613134-38-5

Chemical Structure| 1613134-38-5

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Product Details of [ 1613134-38-5 ]

CAS No. :1613134-38-5
Formula : C11H18N4O4
M.W : 270.29
SMILES Code : O=C(C1=CN(CCNC(OC(C)(C)C)=O)N=N1)OC
MDL No. :MFCD28142820

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Application In Synthesis of [ 1613134-38-5 ]

* 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 [ 1613134-38-5 ]

[ 1613134-38-5 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 1613134-38-5 ]
  • [ 448-36-2 ]
  • [ 1613134-53-4 ]
YieldReaction ConditionsOperation in experiment
84% In a 50 ml round-bottomed flask, l-(2-tert-butoxycarbonylamino-ethyl)-lH-[l,2,3]triazole- 4-carboxylic acid methyl ester (500 mg, 1.85 mmol) was suspended in 7 ml dichloromethane. Trifluoroacetic acid (4.0 ml, 52 mmol) was added slowly which caused all solids to dissolve. The reaction mixture was stirred at room temperature for 2.5 h then concentrated and dried under high vacuum. The residue was dissolved in 5 ml DMF and 2-methoxy-4-(trifluoromethyl) benzoic acid (390 mg, 1.77 mmol) was added. N,N-Diisopropylethylamine (1.5 ml, 8.6 mmol) was added dropwise followed by HATU (741 mg, 1.95 mmol). The reaction mixture was stirred at room temperature overnight then quenched with water and diluted with petroleum ether. The resultant suspension was filtered, rinsing with water and a little petroleum ether then dried under high vacuum to afford 557 mg (84%) of l-[2-(2-methoxy-4-trifluoromethyl-benzoylamino)- ethyl]-lH-[l,2,3]triazole-4-carboxylic acid methyl ester as an off-white solid. LC/MS: (M+H)+ = 373; 1H NMR (400 MHz, CDC13)□: 8.30 (dd, J = 8.1, 0.8 Hz, 1H), 8.19 (br. s., 1H), 8.14 (s, 1H), 7.37 (dd, J = 8.1, 0.8 Hz, 1H), 7.20 (s, 1H), 4.69 - 4.76 (m, 2H), 4.02 - 4.09 (m, 2H), 4.00 (s, 3H), 3.98 (s, 3H).
 

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