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CAS No. : | 395652-44-5 | MDL No. : | MFCD18384524 |
Formula : | C9H9NO | Boiling Point : | 301.4±22.0°C at 760 mmHg |
Linear Structure Formula : | - | InChI Key : | - |
M.W : | 147.17 | Pubchem ID : | 11008063 |
Synonyms : |
|
TPSA :Topological Polar Surface Area | 33.1 | H-Bond Acceptor Count : | 2 |
XLogP3 : | 0.9 | H-Bond Donor Count : | 1 |
SP3 : | 0.22 | Rotatable Bond Count : | 2 |
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P280-P305+P351+P338 | UN#: | N/A |
Hazard Statements: | H302 | Packing Group: | N/A |
GHS Pictogram: |
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Yield | Reaction Conditions | Operation in experiment |
---|---|---|
88% | With palladium hydroxide 10 wt. % on activated carbon; hydrogen In ethanol | A 0.23 M solution of 4-(2-pyridyl)-but-3-yn-1-ol (0.4 g, 2.72 mmol) in EtOH (12 mL)was passed through the H-Cube® hydrogenator flow reactor provided with 10percent Pd(OH)2 cartridge (flow rate: 1.0 mL/min; P = 1.0 bar, T = 25°C). The outcoming solution was concentrated to dryness, leading to the title compound (0.36 g, 88percent), which was used in the next step without any further purification. R = 1.11 mm. MS (ESI) mlz: 152 [M-H], 174 [M-Na].‘H NMR (DMSO-d6): ö = 8.49—8.43 (m, 2H), 7.68 (td, 1H, J= 7.6, 1.9 Hz), 7.23 (d, 1H, J 7.6Hz), 7.18 (ddd, 1H, J= 7.6, 5.4, 1.9 Hz), 3.40 (t, 2H, J= 6.6 Hz), 2.71 (t, 2H, J= 6.6 Hz), 1.74—1.63 (m, 2H), 1.50—1.39 (m, 2H). |
[ 105250-16-6 ]
(2-Methylpyridin-4-yl)methanol
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