| Identification | Back Directory | [Name]
4-CYANO-2-METHOXYBENZALDEHYDE | [CAS]
21962-45-8 | [Synonyms]
4-CYANO-2-METHOXYBENZALDEHYDE
4-Cyaon-2-methoxybenzaldehyde
2-Methoxy-4-cyanobenzaldehyde
4-forMyl-3-Methoxybenzonitrile
Benzonitrile, 4-formyl-3-methoxy-
4-ForMyl-3-Methoxybenzonitrile(2-Methoxy-4-cyanobenzaldehyde) | [EINECS(EC#)]
804-777-4 | [Molecular Formula]
C9H7NO2 | [MDL Number]
MFCD07779491 | [MOL File]
21962-45-8.mol | [Molecular Weight]
161.16 |
| Chemical Properties | Back Directory | [Melting point ]
109-111℃ | [Boiling point ]
318℃ | [density ]
1.18 | [vapor pressure ]
0.003-2.3Pa at 20-80℃ | [Fp ]
138℃ | [storage temp. ]
Inert atmosphere,2-8°C | [InChI]
InChI=1S/C9H7NO2/c1-12-9-4-7(5-10)2-3-8(9)6-11/h2-4,6H,1H3 | [InChIKey]
ZXENVSJZOHXCKL-UHFFFAOYSA-N | [SMILES]
C(#N)C1=CC=C(C=O)C(OC)=C1 | [LogP]
1.42 at 20℃ and pH7 |
| Hazard Information | Back Directory | [Synthesis]
79 g (370 mmol) of sodium metaperiodate are added in portions to a vigorously stirred solution of 48 g (185 mmol) of tert-butyl (2E)-3-(4-cyano-2-methoxyphenyl)acrylate, 207 mg (0.81 mmol) of osmium tetroxide and 1.4 g (6.14 mmol) of benzyltriethylammonium chloride in 750 ml of water/THF (2:1), keeping the reaction temperature below 30° C. The solution is stirred at RT for a further 1 h. Water (2000 ml) is added, and the mixture is filtered. The remaining solid is dissolved in ethyl acetate and washed with a saturated sodium chloride solution. The organic phase is dried over magnesium sulfate and concentrated. The residue is stirred with petroleum ether. 21.18 g (71% of theory) of 4-cyano-2-methoxybenzaldehyde is obtained as a white solid.
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