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Chemical Structure| 2961-50-4 Chemical Structure| 2961-50-4

Structure of 2961-50-4

Chemical Structure| 2961-50-4

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Product Details of [ 2961-50-4 ]

CAS No. :2961-50-4
Formula : C10H15N
M.W : 149.23
SMILES Code : CCCCCC1=CC=NC=C1
MDL No. :MFCD02093422
InChI Key :ABJVUPUJUGBUMM-UHFFFAOYSA-N
Pubchem ID :72918

Safety of [ 2961-50-4 ]

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 [ 2961-50-4 ]

* 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 [ 2961-50-4 ]

[ 2961-50-4 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 2961-50-4 ]
  • [ 37688-96-3 ]
  • 1,14-bis(4’-pentylpyridinium)tetradecane dichloride [ No CAS ]
YieldReaction ConditionsOperation in experiment
85% 1,14-Dibromotetradecane (0.50 g, 1.40 mmol) was dissolved in 4-methyl-2- pentanone (2.0 ml) and 4-pentylpyridine (0.52 g, 3.50 mmol) was added. The mixture was stirred at reflux for 18 h under a nitrogen atmosphere, and the solvent was removed under reduced pressure. The residue was then diluted with H2O (~ 15 ml) and washed with dry Et2O (3 x 20 ml). The aqueous layer was extracted with CH2Cl2 (3 x 20 ml), then the CH2Cl2 layer was concentrated under reduced pressure. The residue was purified by Al2O3 chromatography (neutral, activity II-III), using gradient elution (starting with CHCl3/MeOH = 2% to 10 %). The combined fractions were then passed down a column of Lewatit MP-64 anion resin (Cl"), eluting with EtOH. The resulting fractions were combined and the solvent removed under reduced pressure to give the above compound as a light brown waxy oil (0.67 g, 85 %). 1H NMR (300 MHz, J4-MeOD): δ 8.94 (4H, d, J = 6.5 Hz, CH(2',6')), 8.02 (4H, d, J = 6.5 Hz, CH(3',5')), 4.65 (4H, t, J = 7.5 Hz, CH2(I)), 3.02 (4H, t, J= 7.5 Hz, CH2(I")), 2.07 (4H, m, CH2(2)), 1.82 (4H, m, CH2(2")), 1.42 (28H, m, CH2(3,4,5,6,7,3",4")), 0.98 (6H, m, CH3(5")). 13C NMR (300 MHz, J4- MeOD): 164.2, 144.1, 128.5, 61.2, 35.6, 31.6, 31.5, 29.8, 29.7, 29.6, 29.2, 26.2, 22.5, <n="40"/>13.6, 1 signal obscured or overlapping. MS: m/z ESI (positive ion) 233 [M-2C1"]2+ (100 %), 465 [M-2Cr-H+]+ (100) Found [M-2Cr]2+ 233.2136, [C16H27N]2+ requires 233.2138.
 

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