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Chemical Structure| 956758-70-6 Chemical Structure| 956758-70-6

Structure of 956758-70-6

Chemical Structure| 956758-70-6

(1-Ethyl-1H-pyrazol-3-yl)methanamine

CAS No.: 956758-70-6

4.5 *For Research Use Only !

Cat. No.: A333139 Purity: 95%

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Product Details of [ 956758-70-6 ]

CAS No. :956758-70-6
Formula : C6H11N3
M.W : 125.17
SMILES Code : NCC1=NN(CC)C=C1
MDL No. :MFCD03419809

Safety of [ 956758-70-6 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H317-H319
Precautionary Statements:P280-P305+P351+P338

Application In Synthesis of [ 956758-70-6 ]

* 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 [ 956758-70-6 ]

[ 956758-70-6 ] Synthesis Path-Downstream   1~3

  • 1
  • [ 475216-25-2 ]
  • [ 956758-70-6 ]
  • 4-(((1-ethyl-1H-pyrazol-3-yl)methyl)amino)-N-methyl-3-nitrobenzamide [ No CAS ]
YieldReaction ConditionsOperation in experiment
1.76 g With potassium carbonate; In N,N-dimethyl-formamide; at 20℃; To (1 -ethyl-1 H-pyrazol-3-yl)methanamine (1 g, 7.99 mmol) in DMF (15 ml_) were added 4- fluoro-N-methyl-3-nitrobenzamide (1 .583 g, 7.99 mmol) and K2C03 (638 mg, 4.62 mmol), and the reaction mixture was stirred overnight at room temperature. The reaction was quenched with water (40 ml_) and a solid formed. The resulting mixture was stirred for 30 minutes at room temperature and then filtered. Trituration of the filtered solid from Et20 afforded 4-(((1 -ethyl-1 H-pyrazol-3-yl)methyl)amino)-N-methyl-3-nitrobenzamide (1 .76 g) as a yellow solid. LC-MS (ES) m/z = 304 [M+H]+. NMR (400 MHz, DMSO-d6): delta 1 .36 (t, J = 7.2 Hz, 3H), 2.76 (d, J = 4.6 Hz, 3H), 4.1 1 (q, J = 7.27 Hz, 2H), 4.58 (d, J = 5.6 Hz, 2H), 6.19 (d, J = 2.3 Hz, 1 H), 7.16 (d, J = 9.1 Hz, 1 H), 7.69 (d, J = 2.3 Hz, 1 H), 7.93 - 7.98 (m, 1 H), 8.46 (d, J = 4.6 Hz, 1 H), 8.64 (d, J = 2.0 Hz, 1 H), 8.79 (t, J = 5.5 Hz, 1 H).
  • 2
  • [ 2106-49-2 ]
  • [ 956758-70-6 ]
  • 2-chloro-N-((1-ethyl-1H-pyrazol-3-yl)methyl)-6-nitroaniline [ No CAS ]
YieldReaction ConditionsOperation in experiment
194 mg With N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; for 16h; 2-Chloro-N-((1 -ethyl-1 H-pyrazol- -yl)methyl)-6-nitroaniline A solution of 1 -chloro-2-fluoro-3-nitrobenzene (172 mg, 0.980 mmol), (1 -ethyl-1 H-pyrazol- 3-yl)methanamine (135 mg, 1 .078 mmol), and N,N-diisopropylethylamine (0.205 mL, 1 .176 mmol) in DMF (20 mL) was stirred for 16 hours. The reaction was concentrated, and the resulting residue was purified via silica gel chromatography (0% to 30% EtOAc/hexanes) to afford 2-chloro-N-((1 -ethyl-1 H-pyrazol-3-yl)methyl)-6-nitroaniline (194 mg) as a orange oil. LC-MS (ES) m/z = 281 , 283 [M+H]+. NMR (400 MHz, CDCI3): δ 7.95 (dd, J = 1 .7, 8.5 Hz, 1 H), 7.56 (dd, J = 1 .5, 7.9 Hz, 1 H), 7.35 (d, J = 2.3 Hz, 1 H), 6.82 (t, J = 8.1 Hz, 1 H), 6.15 (d, J = 2.3 Hz, 1 H), 4.63 (s, 2H), 4.16 (q, J = 7.2 Hz, 2H), 1 .49 (t, J = 7.4 Hz, 3H).
  • 3
  • [ 437-86-5 ]
  • [ 956758-70-6 ]
  • N-((1-ethyl-1H-pyrazol-3-yl)methyl)-2-methyl-6-nitroaniline [ No CAS ]
YieldReaction ConditionsOperation in experiment
99 mg With N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 60℃; for 16h; A solution of 2-fluoro-1 -methyl-3-nitrobenzene (172 mg, 1 .109 mmol), (1 -ethyl-1 H-pyrazol- 3-yl)methanamine (153 mg, 1 .220 mmol), and N,N-diisopropylethylamine (0.232 mL, 1 .331 mmol) in DMF (20 mL) was heated at 60 °C for 16 hours. The reaction was concentrated, and the resulting residue was purified via silica gel chromatography (0percent to 27percent EtOAc/hexanes) to afford N-((1 -ethyl-1 H-pyrazol-3-yl)methyl)-2-methyl-6-nitroaniline (99 mg) as a yellow/orange oil. LC-MS (ES) m/z = 261 [M+H]+. 1H NMR (400 MHz, CDCI3): delta 7.89 (dd, J = 1 .0, 8.4 Hz, 1 H), 7.26 - 7.45 (m, 2H), 6.91 - 7.25 (m, 1 H), 6.82 (dd, J = 7.4, 8.4 Hz, 1 H), 6.09 (d, J = 2.4 Hz, 1 H), 4.43 (s, 2H), 4.13 (q, J = 7.4 Hz, 2H), 2.51 (s, 3H), 1 .47 (t, J = 7.4 Hz, 3H).
 

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