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Chemical Structure| 91004-60-3 Chemical Structure| 91004-60-3

Structure of 91004-60-3

Chemical Structure| 91004-60-3

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Product Details of [ 91004-60-3 ]

CAS No. :91004-60-3
Formula : C9H11Cl2N3
M.W : 232.11
SMILES Code : NNC1=C2C=CC=NC2=CC=C1.[H]Cl.[H]Cl
MDL No. :MFCD08061604

Safety of [ 91004-60-3 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P280-P305+P351+P338

Application In Synthesis of [ 91004-60-3 ]

* 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 [ 91004-60-3 ]

[ 91004-60-3 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 6214-65-9 ]
  • hexanes-acetone [ No CAS ]
  • [ 91004-60-3 ]
  • [ 241798-54-9 ]
YieldReaction ConditionsOperation in experiment
0.279 g (60%) With hydrogenchloride; sulfuric acid; In butan-1-ol; EXAMPLE 12A n-Butyl 3-methyl-1-(quinolin-5-yl)-1H-pyrazole-4-carboxylate A mixture of <strong>[6214-65-9]5-acetyluracil</strong> (0.231 g, 1.5 mmol), 5-quinolinylhydrazine dihydrochloride (0.418 g, 1.8 mmol) and HCl (conc., 0.75 mL, 9 mmol) in n-butanol (15 mL) was heated at reflux for 20 h, cooled to 23 C., and concentrated in vacuo. The residue was dissolved in n-butanol (10 mL). The resulting solution was treated with H2SO4 (conc., 0.96 mL, 18 mmol), heated at reflux for 20 h, cooled to 23 C. and concentrated in vacuo. The residue was partitioned between EtOAc and NaOH (1 M). The aqueous layer was extracted three times with EtOAc. The combined organic extracts were dried over Na2SO4 and concentrated in vacuo. The brown solid residue was purified by flash chromatography (Flash 40S, hexanes-acetone 8:2) to afford 0.279 g (60%) of the desired product as a white solid. 1H NMR (400 MHz, CDCl3) delta0.96 (t, J=7, 3H), 1.45 (sextuplet, J=7.2, 2H), 1.72 (quintet, J=6.8, 2H). 2.60 (s, 3H), 4.28 (quartet, J=6.6, 2H), 7.24 (s, 1H), 7.47 (ddd, J=0.8, 4.4, 8.8, 1H), 7.58 (d, J=7.2, 1H), 7.76 (t, J=8, 1H), 8.21 (m, 1H), 8.30 (d, J=8, 1H), 8.98 (dd, J=1.4, 3, 1H).
 

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