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Chemical Structure| 338991-54-1 Chemical Structure| 338991-54-1

Structure of 338991-54-1

Chemical Structure| 338991-54-1

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Product Details of [ 338991-54-1 ]

CAS No. :338991-54-1
Formula : C10H14N2O2
M.W : 194.23
SMILES Code : CC(NCC1=CC=CC=C1[N+]([O-])=O)C
MDL No. :MFCD09813954

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Application In Synthesis of [ 338991-54-1 ]

* 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 [ 338991-54-1 ]

[ 338991-54-1 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 24835-08-3 ]
  • [ 67-64-1 ]
  • [ 338991-54-1 ]
YieldReaction ConditionsOperation in experiment
With sodium cyanoborohydride; In methanol; at 0 - 20℃; for 3h; Example 2; [00281] [N-methyl-N-2-((tert-butoxycarbonylisopropylamino)methyl)phenyl]carbamic acid 1-chloro-ethyl ester [00282]; a) Preparation of Isopropyl-(2-nitro-benzyl)-carbamic acid tert-butyl ester; [00283] To a mixture of <strong>[24835-08-3]2-nitrobenzylamine hydrochloride</strong> (500 mg, 2.65 mmol) and acetone (0.39 ml, 5.30 mmol) in methanol (13 ml) was added sodium cyanoborohydride (500 mg, 7.95 mmol) at 0 C. The temperature was warm up to room temperature. After stirring for 3 hr, the mixture was concentrated in vacuo and extracted with dichloromethane. The combined organic phase was washed with water and brine, dried over anhydrous magnesium sulfate, filtered and concentrated in vacuo to give N-isopropyl-2-nitrobenzylamine as yellow oil. This compound was used in next step without further purification. [00284] To a mixture of N-isopropyl-2-nitrobenzylamine and N,N-diisopropylethyl amine (1.15 ml, 6.63 mmol) in tetrahydrofuran (20 ml) was added di-tert-butyl dicarbonate (1.22 ml, 5.30 mmol) at room temperature. After stirring overnight, the mixture was quenched with water and extracted with ethyl acetate. The combined: organic phase was washed with water and brine, dried over anhydrous magnesium sulfate, filtered and concentrated in vacuo. The residue was purified by column chromatography (15% ethyl acetate-hexane) to afford isopropyl-(2-nitro-benzyl)-carbamic acid tert-butyl ester (e) (736 mg, 2.50 mmol, 94%) as light yellow oil.
 

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