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Chemical Structure| 120205-54-1 Chemical Structure| 120205-54-1

Structure of 120205-54-1

Chemical Structure| 120205-54-1

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Product Details of [ 120205-54-1 ]

CAS No. :120205-54-1
Formula : C25H35N3O4S
M.W : 473.63
SMILES Code : O=C(N1[C@H]([C@H](OC)[C@@H](C)C(N[C@H](C2=NC=CS2)CC3=CC=CC=C3)=O)CCC1)OC(C)(C)C

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Application In Synthesis of [ 120205-54-1 ]

* 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 [ 120205-54-1 ]

[ 120205-54-1 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 120205-50-7 ]
  • [ 135383-60-7 ]
  • [ 120205-54-1 ]
YieldReaction ConditionsOperation in experiment
81% With diethyl cyanophosphonate; triethylamine; In N,N-dimethyl-formamide; at 0 - 20℃; for 20.0h; To a solution of 11 (280 mg, 0.974 mmol, 1 eq.) and 15 (460 mg, 1.44 mmol, 1.48 eq.) in NN- dimethylformamide (3 mL, 0.32 M) at 0 C was added diethylphosphoryl cyanide (DEPC) (93% purity, 212 muEpsilon, 1.30 mmol, 1.34 eq.), followed by triethylamine (367 2.63 mmol, 2.7 eq.). After 2 hours at 0 C, the reaction mixture was warmed to room temperature for 18 hours. The reaction mixture was then diluted with ethyl acetate:toluene (2: 1, 30 mL) and was washed successively with 1 M aqueous sodium bisulfate solution (35 mL) and 50% saturated aqueous sodium bicarbonate solution (4 x 25 mL). The organic layer was dried over sodium sulfate, filtered, concentrated in vacuo, and purified by silica gel chromatography (12% to 100% ethyl acetate in heptane) to give 16 as a light amber oil (374 mg, 81%). LC-MS: m/z 474.4 [M+H+], 374.4 [(M - 2-methylprop-l-ene)+H+] retention time = 3.63 minutes; H NMR (400 MHz, DMSO-i), characteristic signals: delta 8.66 (d, J=8.5 Hz, IH), 7.78 (d, J=3.3 Hz, IH), 7.64 (d, J=3.3 Hz, IH), 7.21-7.31 (m, 4H), 7.14-7.20 (m, IH), 5.40 (ddd, J=1 1.4, 8.5, 4.0 Hz, IH), 3.23 (br s, 3H), 2.18 (dq, J=9.7, 6.7 Hz, IH), 1.06 (d, J=6.6 Hz, 3H).
 

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