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Chemical Structure| 1401305-30-3 Chemical Structure| 1401305-30-3

Structure of 1401305-30-3

Chemical Structure| 1401305-30-3

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Product Details of [ 1401305-30-3 ]

CAS No. :1401305-30-3
Formula : C6H11N3
M.W : 125.17
SMILES Code : CC1=NN(C(C)C)C=N1
MDL No. :MFCD30489327

Safety of [ 1401305-30-3 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H315-H319
Precautionary Statements:P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313

Application In Synthesis of [ 1401305-30-3 ]

* 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 [ 1401305-30-3 ]

[ 1401305-30-3 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 67442-07-3 ]
  • [ 1401305-30-3 ]
  • 2-chloro-1-(1-isopropyl-3-methyl-1H-1,2,4-triazol-5-yl)ethanone [ No CAS ]
YieldReaction ConditionsOperation in experiment
To a 10L four necked flask was charged l-Isopropyl-3-methyl-lH-l,2,4-triazole 7 (400 g) in THF (2.5 L). The resulting solution was cooled to -40 C and 2.5 M n-butyllithium BuLi in n- hexanes (1.41 L) was added while keeping the internal temp, below -20C. The resulting yellow suspension was stirred at -40C for 1 hour before being transferred. To a 20L flask was charged <strong>[67442-07-3]2-chloro-N-methoxy-N-methylacetamide</strong> 10 (485 g) in THF (4 L). The resulting solution was cooled to -40 C at which point a white suspension was obtained, and to this was added the solution of lithiated triazole 7 keeping the internal temp, below -20C. At this point a yellow orange solution was obtained which was stirred at - 30C for lhour. Propionic acid (520 mL) was added keeping the internal temp, below -20C. The resulting off-white to yellowish suspension was warmed to -5 C over 30 minutes. Citric acid (200 g) in water (0.8 L) was added and after stirring for 5 minutes a clear biphasic mixture was obtained. At this point stirring was stopped and the bottom aqueous layer was removed. The organic phase was washed with 20w% K3PO4 solution (1 L), 20w% K2HP04 solution (2 L), and 20w% NaCl solution (1 L). The organics was reduced to ca 4L via distillation under vacuum to afford 2-chloro-l-(l-isopropyl-3- methyl-lH-l,2,4-triazol-5-yl)ethanone 13 as a dark amber liquid which was used "as is" in the next step.
 

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