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Chemical Structure| 899898-44-3 Chemical Structure| 899898-44-3

Structure of 899898-44-3

Chemical Structure| 899898-44-3

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Product Details of [ 899898-44-3 ]

CAS No. :899898-44-3
Formula : C12H18N2O4S
M.W : 286.35
SMILES Code : O=C(C1=C(NC(OC(C)(C)C)=O)SC(C)=N1)OCC
MDL No. :MFCD31560469

Safety of [ 899898-44-3 ]

GHS Pictogram:
Signal Word:Warning
Hazard Statements:H302-H315-H319-H335
Precautionary Statements:P261-P280-P301+P312-P302+P352-P305+P351+P338

Application In Synthesis of [ 899898-44-3 ]

* 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 [ 899898-44-3 ]

[ 899898-44-3 ] Synthesis Path-Downstream   1~1

  • 1
  • [ 24424-99-5 ]
  • [ 31785-05-4 ]
  • [ 899898-44-3 ]
YieldReaction ConditionsOperation in experiment
70 - 90% With dmap; In tetrahydrofuran; at 70 - 100℃; for 0.166667h;Microwave irradiation;Product distribution / selectivity; EXAMPLE 127; 5-Amino-2-methyl-thiazole-4-carboxylic acid (3-chloro-phenyl)-amide; The title compound was prepared as described in scheme 6. A) A solution of <strong>[31785-05-4]5-amino-2-methyl-thiazole-4-carboxylic acid ethyl ester</strong> (prepared as described in example 105, step A) (0.10 g, 0.54 mmol) in THF (2.5 ml) was treated with dimethylaminopyridine (DMAP) and di-tert-butyl dicarbonate (Boc2O). The mixture was irradiated in a microwave oven at 100 C. for 10 min, then the solvent was evaporated. The residue was purified by flash chromatography (heptane/ethyl acetate) yielding 2-tert-butoxycarbonylamino-5-methyl-thiophene-3-carboxylic acid ethyl ester (0.11 g, 70%) as a yellow oil; B) 5-Amino-2-methyl-thiazole-4-carboxylic acid ethyl ester (0.40 g, 2.15 mmol) was dissolved in 20 ml dry THF. Di-tert.-butyl dicarbonate (0.526 g, 4.41 mmol) and 4-(N,N-dimethylamino)pyridine (0.036 g, 0.3 mmol) were added and the reaction mixture was stirred at 70 C. overnight. The solvent was evaporated, the residue taken up in 20 mL saturated sodium bicarbonate solution and extracted three times with ethyl acetate (30 mL each). The organic phases were pooled, dried with sodium sulfate and evaporated. The crude product was flash-chromatographed on silica gel with heptane/ethyl acetate 100:0?0:100 gradient to yield 5-tert-butoxycarbonylamino-2-methyl-thiazole-4-carboxylic acid ethyl ester as a light yellow solid (0.553 g, 90%)
 

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