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CAS No. : | 57777-84-1 | MDL No. : | MFCD00079529 |
Formula : | C8H6N4O4S | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | HMNOLKQVFZCVIW-UHFFFAOYSA-N |
M.W : | 254.22 | Pubchem ID : | 93796 |
Synonyms : |
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Signal Word: | Warning | Class: | |
Precautionary Statements: | P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313 | UN#: | |
Hazard Statements: | H315-H319 | Packing Group: | |
GHS Pictogram: |
* 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.
Yield | Reaction Conditions | Operation in experiment |
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analog Zitat 10 (S. 3993); | ||
p-Nitrobenzolsulfonylchlorid, (1H)-1,2,4-Triazol, Triethylamin; |
Yield | Reaction Conditions | Operation in experiment |
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Stage #1: 1-(6-(1-methyl-1H-pyrazol-4-yl)benzo[d]thiazol-2-yl)azetidin-3-ol; 1-(4-nitro-benzenesulfonyl)-1<i>H</i>-[1,2,4]triazole With N-ethyl-N,N-diisopropylamine In dichloromethane Stage #2: With triethylamine In dichloromethane Stage #3: 1-(4-nitro-benzenesulfonyl)-1<i>H</i>-[1,2,4]triazole In dichloromethane | 3 1-(6-(1-methyl-1H-pyrazol-4-yl)benzo[d]thiazol-2-yl)azetidin-3-yl 4-nitrobenzenesulfonate A suspension of 1-(6-(1-methyl-1H-pyrazol-4-yl)benzo[d]thiazol-2-yl)azetidin-3-ol (Reference Example 2, 0.143 g, 0.50 mmol), N,N-diisopropylethylamine (0.105 mL, 0.60 mmol), and 1-(4-nitrophenylsulfonyl)-1H-1,2,4-triazole (0.178 g, 0.70 mmol) in dichloromethane (5.0 mL) was stirred a few hours and then triethylamine (0.14 mL, 1.0 mmol) was added. After the mixture had been stirred overnight additional 1-(4-nitrophenylsulfonyl)-1H-1,2,4-triazole (0.076 g, 0.30 mmol) was added. The mixture was stirred another day and then placed directly onto a column of silica and purified chromatographically (100% CH2Cl2 to 80:20 CH2Cl2/ethyl acetate) to give 1-(6-(1-methyl-1H-pyrazol-4-yl)benzo[d]thiazol-2-yl)azetidin-3-yl 4-nitrobenzenesulfonate. 1H NMR (300 MHz, CD3OD) δ ppm 3.91 (s, 3H), 4.20-4.25 (m, 2H), 4.46-4.52 (m, 2H), 5.41-5.50 (m, 1H), 7.46 (d, J=8 Hz, 1H), 7.52 (dd, J=1, 8 Hz, 1H), 7.79 (s, 1H), 7.87 (s, 1H), 7.92 (s, 1H) 8.24 (d, J=9 Hz, 2H), 8.51 (d, J=9 Hz, 2H); MS (ESI) m/z 472 (M+H)+. |