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Chemical Structure| 951259-15-7 Chemical Structure| 951259-15-7

Structure of 951259-15-7

Chemical Structure| 951259-15-7

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Product Details of [ 951259-15-7 ]

CAS No. :951259-15-7
Formula : C13H20N2O2S
M.W : 268.38
SMILES Code : O=C(N1CCC(C2=NC=CS2)CC1)OC(C)(C)C
MDL No. :MFCD18250330

Safety of [ 951259-15-7 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319
Precautionary Statements:P501-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330

Application In Synthesis of [ 951259-15-7 ]

* 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 [ 951259-15-7 ]

[ 951259-15-7 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 214834-18-1 ]
  • [ 107-20-0 ]
  • [ 951259-15-7 ]
YieldReaction ConditionsOperation in experiment
32.9% In water; acetone; at 50℃; for 16h; The compound 4-aminothiocarbonyltetrahydropyridine-1 (2H) -carboxylic acid tert-butyl ester (25.0 g, 102.4 mmol) and chloroacetaldehyde (40%aqueous solution, 30.0 g, 153.6 mmol) were sequentially added to a round bottom flask containing 300 mL of acetone, stirred at 50 for 16 h. LCMS monitoring, after the reaction was completed, cooled to room temperature, concentrated, and then separated by column chromatography (eluent: petroleum ether/ethyl acetate, 5/1, v/v) , obtained 9.0 g of a yellow oily liquid, yield: 32.9%. 1H NMR (400 MHz, CDCl 3) δ ppm 1.47 (s, 9H) , 1.73 (ddd, J = 25.0, 12.1, 4.3 Hz, 2H) , 2.09 (dt, J = 15.5, 4.7 Hz, 2H) , 2.86 (dd, J = 25.4, 13.1 Hz, 2H) , 3.13-3.21 (m, 1H) , 4.14 (dd, J = 17.4, 10.1 Hz, 2H) , 7.22 (d, J = 3.3 Hz, 1H) , 7.69 (d, J = 3.3 Hz, 1H) . LCMS: Rt = 0.45 min, MS Calcd.: 268.1, MS Found: 212.9 [M+H-56] +.
 

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