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CAS No. : | 1755-15-3 | MDL No. : | MFCD00467663 |
Formula : | C10H14O3 | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | ITSKWKZDPHAQNK-UHFFFAOYSA-N |
M.W : | 182.22 | Pubchem ID : | 519448 |
Synonyms : |
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Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P261-P305+P351+P338 | UN#: | N/A |
Hazard Statements: | H315-H319-H335 | Packing Group: | N/A |
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 |
---|---|---|
28% | With hydrogenchloride; In water; for 6h;Reflux; | 5.2.10 Ethyl 2-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indazol-1-yl)benzoate (10) The reaction of <strong>[33906-30-8]2-hydrazinobenzoic acid hydrochloride</strong> (56.6 mg, 0.30 mmol) with 2-acetyl-5,5-dimethyl-1,3-cyclohexanedione (54.7 mg, 0.30 mmol) in ethanol (0.9 mL) under reflux for 6 h, by a procedure similar to that for 20 using concd HCl (0.30 mL) instead of H2SO4, gave ethyl 2-(3,6,6-trimethyl-4-oxo-4,5,6,7-tetrahydro-1H-indazol-1-yl)benzoate 10 (27.7 mg, 28%) as a powder. 1H NMR (CDCl3, 300 MHz) delta 8.01 (dd, J = 1.5, 7.5 Hz, 1H), 7.67-7.54 (m, 2H), 7.36 (dd, J = 1.5, 7.5 Hz, 1H), 4.15 (q, J = 7.2 Hz, 2H), 2.52 (s, 3H), 2.50 (s, 2H), 2.38 (s, 2H), 1.13 (t, J = 7.2 Hz, 3H), 1.09 (s, 6H); HRMS calcd for C19H23N2O3 (M+H) 327.1709, found 327.1703. |