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Chemical Structure| 90315-14-3 Chemical Structure| 90315-14-3

Structure of 90315-14-3

Chemical Structure| 90315-14-3

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Product Details of [ 90315-14-3 ]

CAS No. :90315-14-3
Formula : C12H29NO6P2
M.W : 345.31
SMILES Code : NCCCC(P(OCC)(OCC)=O)P(OCC)(OCC)=O
MDL No. :MFCD02684018

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Application In Synthesis of [ 90315-14-3 ]

* 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 [ 90315-14-3 ]

[ 90315-14-3 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 107819-90-9 ]
  • [ 90315-14-3 ]
  • tetraethyl 4-((bis(1,1-dimethylethoxycarbonyl)aminoiminomethyl)amino)butane-1,1-bisphosphonate [ No CAS ]
YieldReaction ConditionsOperation in experiment
In tetrahydrofuran; A solution of 1.8 g (6.2 mmol) of N,N'-bis(1,1-dimethylethoxycarbonyl)-S-methylisothiourea and 4.4 g (12.7 mmol) of tetraethyl 4-aminobutane-1,1-bisphosphonate is heated at 40° C. for 2 days in 50 ml of tetrahydrofuran (THF). The organic phase is then washed with a saturated NaCl solution and dried over MgSO4 and the THF is removed under reduced pressure. The crude product obtained is chromatographed on Florisil (60-100 mesh). The eluent consists of methylene chloride/methanol=98:2. In this way, 2.95 g (81percent) of pure substance are obtained as a colorless oil. IR spectroscopy: (CHCl3) nu=3300, 3285 (=C--NH); 1722, 1636 (C=O); 1617 (C=N) cm-1. 1 H-NMR spectroscopy: (CDCl3) 1.34 (t, 12H, OCH2 CH3); 1.49 (s, 18H, CH3); 1.8-2.1 (m, 4H, N--CH2 CH2 CH2 CH); 2.33 (tt, P--CH--P), 3.45 (m, 2H, N--CH2); 4.19 (m, 8H, OCH2 CH3).
 

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