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CAS No. : | 19886-78-3 | MDL No. : | MFCD08060611 |
Formula : | C10H13NO | Boiling Point : | - |
Linear Structure Formula : | - | InChI Key : | - |
M.W : | 163.22 | Pubchem ID : | - |
Synonyms : |
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Signal Word: | Class: | ||
Precautionary Statements: | UN#: | ||
Hazard Statements: | Packing Group: |
* 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 |
---|---|---|
In ethanol;Heating / reflux; | Example 63 2-(Dimethylaminomethyl)benzaldehyde 4-(oxazol-5-yl)phenylhydrazone 2-(Dimethylaminomethyl)benzaldehyde (166 mg) was added to an ethanol solution (5 ml) of 4-(oxazol-5-yl)phenylhydrazine (163 mg), followed by heating overnight under reflux. The solvent was evaporated and the thus obtained residue was washed with diethyl ether to obtain the title compound (124 mg) as a yellow solid. 1H-NMR (400 MHz, CDCl3) delta: 2.25 (6H, s), 3.54 (2H, s), 7.16 (2H, d, J=8.5 Hz), 7.21 (1H, s), 7.22 (1H, t, J=7.8 Hz), 7.26 (1H, d, J=7.8 Hz), 7.33 (1H, t, J=7.8 Hz), 7.56 (2H, d, J=8.5 Hz), 7.85 (1H, s), 7.92 (1H, s), 8.06 (1H, d, J=7.8 Hz), 8.24 (1H, s). ESI-MS m/z: 321 (M+H)+. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
Reference Example 68 2-(Dimethylaminomethyl)benzaldehyde Diisobutylaluminum hydride (16.7 ml, 0.93 M hexane solution) was added dropwise to a THF solution (20 ml) of 2-(dimethylaminomethyl)benzonitrile (830 mg) at -78C, followed by stirring at the same temperature for 2 hours. Methanol (5.0 ml) was added dropwise to the reaction solution, and silica gel was subsequently added to the mixture, followed by stirring overnight at room temperature. The solvent was evaporated, the thus obtained residue was purified by silica gel column chromatography, and the fraction obtained from the elude of dichloromethane:methanol = 10:1 was concentrated under reduced pressure to obtain the title compound (166 mg) as a yellowish brown oil. 1H-NMR (400 MHz, CDCl3) delta: 2.25 (6H, s), 3.76 (2H, s), 7.39 (1H, t, J=7.8 Hz), 7.42 (1H, d, J=7.8 Hz), 7.51 (1H, t, J=7.8 Hz), 7.87 (1H, d, J=7.8 Hz), 10.37 (1H, s). ESI-MS m/z: 164 (M+H)+. |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
25.5% | To a solution of 1-(2-bromophenyl)-N,N-dimethylmethanamine (LIII) in THF (25 mL) cooled to -78 C. under N2 was added a 2.5M solution of nBuLi in hexane (3.37 mL, 8.42 mmol). The reaction was stirred at -78 C. under N2 for 1.5 h before adding DMF (0.68 mL, 8.79 mmol). The reaction was stirred at -78 C. under N2 for 1 h and then warmed to room temperature. The solvent was removed under reduced pressure and purified on a silica column (100% CHCl3?10% MeOH/CHCl3) to produce 2-((dimethylamino)methyl)benzaldehyde (LIV) as a light yellow oil (305 mg, 1.87 mmol, 25.5% yield). 1H NMR (DMSO-d6, 500 MHz) delta ppm 2.14 (s, 6H), 3.72 (s, 2H), 7.42 (d, J=7.6 Hz, 1H), 7.45-7.48 (m, 1H), 7.57-7.59 (m, 1H), 7.78 (dd, J=1.2 Hz, J=7.6 Hz, 1H), 10.34 (s, 1H); ESIMS found C9H12BrN m/z 163.9 (M+H) |
Yield | Reaction Conditions | Operation in experiment |
---|---|---|
In hexane; for 0.166667h;Inert atmosphere; | Under an argon atmosphere, a solution of 2 - [(dimethylamino) methyl] phenyl) lithi obtained in Reference Example 1The hexane slurry of (2 - Me 2 NCH 2 C 6 H 4) Li) (A) was vigorously stirred1 mL sampling was taken, and dehydrated dimethylformamide (B) 9.5 manufactured by Kanto Chemical Co., Ltd.G (10 mL, 62.1 mmol) and stirred vigorously for 10 minutes. To the obtained reaction solution10 mL of water was added and the mixture was vigorously stirred for 10 minutes, whereby 1-formyl-2 - [(dimethyl ami)) Methyl] benzene (1 - COH - 2 - Me 2 NCH 2 C 6 H 4) (C), And 56.0 mg (0.33 mmol) of dodecane were added to prepare a measurement sample for gas chromatography. The obtained measurement sample was analyzed by gas chromatography, and the calibration curve shown in FIG. 1 and FIG. 2(C) according to the internal standard method using 2 - [(dimethylamino) methyl] phenyl) lichiSubstance amount of 1- (aminomethyl) benzene (D) which is a representative impurity contained in um is calculatedDetermination of (C) by dividing the substance amount of (C) by the sum of substance amounts of (C) and (D)Analysis was done. When the same sample was subjected to six measurements, the purity of (C) was 94%, With good reproducibility (Fig. 3). (C) can be quantitatively obtained from (A)The purity of (A) was found to be 94%. |