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CAS No. : | 938-18-1 | MDL No. : | MFCD00013650 |
Formula : | C10H11ClO | Boiling Point : | - |
Linear Structure Formula : | (C6H2(CH3)3)C(O)Cl | InChI Key : | UKRQMDIFLKHCRO-UHFFFAOYSA-N |
M.W : | 182.65 | Pubchem ID : | 97038 |
Synonyms : |
|
Signal Word: | Danger | Class: | 8 |
Precautionary Statements: | P280-P305+P351+P338-P310 | UN#: | 3265 |
Hazard Statements: | H314 | Packing Group: | Ⅱ |
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 |
---|---|---|
84% | With pyridine;Inert atmosphere; Reflux; | The reaction was performed with 5-(2'-pyridyl)-1H-tetrazole (730 mg, 4.96 mmol) and 2,4,6-trimethylbenzoyl chloride (906 mg, 0.83 mL, 4.96 mmol, AlfaAesar) in pyridine (3.5 mL). The reaction mixture was diluted with water (50 mL) to give suspension. It was stirred for 10 min. The precipitate of the crude product was filtered, washed with water, and extracted with ether/H2O. The organic layer was washed with water and evaporated. Purification by column chromatography was performed on silica (15 g). Elution with CH2Cl2 removed pale yellow impurity. Elution with 0.5% CH3OH in CH2Cl2 recovered the product. White solid: 1.10 g (4.15 mmol, 84%). Anal. Calc. for C16H15N3O (MW 265.31): C, 72.43; H, 5.70; N, 15.84. Found: C, 72.24; H, 5.74; N, 15.53%. 1H NMR (400 MHz, [D6]dmso): delta = 8.79 (dd, J = 4.8, 0.8 Hz, 1H), 8.24 (dd, J = 8.0, 0.8 Hz, 1H), 8.12-8.04 (m, 1H), 7.69-7.62 (m, 1H), 7.09 (s, 2H), 2.33 (s, 3H), 2.25 (s, 6H) ppm. 13C NMR (100 MHz, CD2Cl2): delta = 164.96, 164.51, 150.52, 144.09, 141.48, 138.98, 137.39, 129.06, 125.98, 123.13, 121.19, 21.26, 20.44 ppm. GC-EI+ MS: m/z 265 (M+, 100%). |
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