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Chemical Structure| 911494-00-3 Chemical Structure| 911494-00-3

Structure of 911494-00-3

Chemical Structure| 911494-00-3

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Product Details of [ 911494-00-3 ]

CAS No. :911494-00-3
Formula : C10H18N2O2S
M.W : 230.33
SMILES Code : O=C(N1CCNC(CC1)=S)OC(C)(C)C

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Application In Synthesis of [ 911494-00-3 ]

* 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 [ 911494-00-3 ]

[ 911494-00-3 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 190900-21-1 ]
  • [ 911494-00-3 ]
YieldReaction ConditionsOperation in experiment
tert-Butyl 5-thioxo-l,4-diazepane-l-carboxylate tert-Butyl 5-oxo-l,4-diazepane-l-carboxylate, P4S10 (0.2 eq.), HMDO (2 eq.) and dichloromethane were combined and stirred magnetically at room temperature for 1 hour. The reaction mixture was then cooled to 00C and aqueous K2CO3 solution (1.26 mL of 5.3 M/mmol P4S10 taken) was added. A volume of acetone equal to one half of the reaction solvent was added to obtain a stirrable mixture, and the reaction mixture was stirred vigorously for 30 minutes at O0C. Volatiles were evaporated, water and ethyl acetate were added, layers were separated and the organic phase was washed with water and brine. The organic extract was dried over Nua2Spsi4 and evaporated, to afford the title EPO <DP n="76"/>compound. lH NMR (300 MHz, CDCI3) delta 8.7 (bs, 1 H), 3.68-3.60 (m, 4 H), 3.42-3.38 (m, 2 H), 3.15- 3.09 (m, 2 H), 1.43 (s, 9 H); MS (ES) Ci0Hi8N2O2S requires 230, found: 231 (M+H1).
 

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