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Chemical Structure| 23230-39-9 Chemical Structure| 23230-39-9

Structure of 23230-39-9

Chemical Structure| 23230-39-9

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Product Details of [ 23230-39-9 ]

CAS No. :23230-39-9
Formula : C6H11N3
M.W : 125.17
SMILES Code : CN(C)CN1C=CN=C1
MDL No. :MFCD00961627

Safety of [ 23230-39-9 ]

GHS Pictogram:
Signal Word:Danger
Hazard Statements:H302-H314
Precautionary Statements:P264-P270-P271-P280-P303+P361+P353-P304+P340-P305+P351+P338-P310-P330-P331-P363-P403+P233-P501
Class:8
UN#:2735
Packing Group:

Application In Synthesis of [ 23230-39-9 ]

* 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 [ 23230-39-9 ]

[ 23230-39-9 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 542-69-8 ]
  • [ 23230-39-9 ]
  • [ 50790-93-7 ]
YieldReaction ConditionsOperation in experiment
85% To a solution of 2b (0.25 g, 2 mmol) in anhydrous THF (10 mL) under Ar atmosphere was added n-BuLi (1.6 M in hexanes, 1.37 mL, 2.20 mmol) dropwise via a syringe at -78 C. After 30 min, DMPU (0.48 mL, 4.0 mmol) was added at -70 C and stirred for additional 30 min before n-BuI (0.27 mL, 2.40 mmol) was added at -78 C. The reaction mixture was allowed to warm to rt over a period of 16 h. Then, aqueous HCl (2 M, 8 mL) was added, the organic solvent was removed and the resulting mixture was neutralized with saturated aqueous NaHCO3 solution and extracted with CH2Cl2 (3 × 15 mL) The organic phase was dried over Na2SO4 and concentrated in vacuo to furnish 5b as a pale yellow oil (0.21 g). Data were consistent with literature. Yield: 85%; Rf 0.54 (CHCl3/MeOH 9:1) tR 5.52 min (5% MeCN ? 100% MeCN in 30 min); ESI-MS (m/z): 125.17 [M + H]; 1H NMR (400 MHz, CDCl3): delta 6.87 (s,2H), 2.68 (t, 2H, J = 7.5 Hz), 1.67 (quint, 2H, J = 7.5 Hz), 1.34 (sext, 2H, J = 7.5 Hz), 0.93 (t, 3H, J = 7.5 Hz); 13C NMR (160 MHz, CDCl3): delta 148.97, 120.84, 30.81, 27.64, 22.20, 12.95.
 

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