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Chemical Structure| 4379-13-9 Chemical Structure| 4379-13-9

Structure of 4379-13-9

Chemical Structure| 4379-13-9

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Product Details of [ 4379-13-9 ]

CAS No. :4379-13-9
Formula : C6H15NO
M.W : 117.19
SMILES Code : CCC(C)C(N)CO
MDL No. :MFCD09954504

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Application In Synthesis of [ 4379-13-9 ]

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  • Downstream synthetic route of [ 4379-13-9 ]

[ 4379-13-9 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 4379-13-9 ]
  • [ 97-08-5 ]
  • [ 635291-29-1 ]
YieldReaction ConditionsOperation in experiment
With triethylamine; In dichloromethane; A. Preparation of 3-Nitro-4-chloro-N-[(1S,2 S)-1-(hydroxymethyl)-2-methylbutyl]benzenesulfonamide To a solution of S-isoleucinol (3.0 g, 25.6 mmol), triethylamine (2.85 g, 28.2 mmol) and methylene chloride (30 mL) at 0 C., was added a solution of 4-chloro-3-nitro-benzenesulfonyl chloride (6.55 g, 25.6 mmol) in CH2Cl2 (30 mL). After 15 minutes, the ice bath was removed and the reaction allowed to reach 25 C. After 16 hours, the reaction was quenched by pouring into a saturated sodium bicarbonate solution (125 mL). The organic phase was separated and washed sequentially with 1N HCl solution (100 mL), distilled water and brine, dried over MgSO4 and evaporated to give a crude solid that was recrystallized from ethyl acetate-hexane (5.52 g, 64%). MS (+ESI) 354 ([M+NH4]+). Anal. Calc'd for C12H17ClN2O5S: C, 42.80; H, 5.09; N, 8.32; Found: C, 42.82; H, 5.05; N, 8.23.
 

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