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| | 4-formyl-3-methoxybenzonitrile Basic information |
| Product Name: | 4-formyl-3-methoxybenzonitrile | | Synonyms: | 4-forMyl-3-Methoxybenzonitrile;4-ForMyl-3-Methoxybenzonitrile(2-Methoxy-4-cyanobenzaldehyde);Benzonitrile, 4-formyl-3-methoxy-;4-Formyl-3-methoxybenzonitrile (or)
4-Cyano-2-Methoxy Benzaldehyde;4-Cyano-2-neneneba methoxy Benzaldehyde;4-Cyan0-2-methoxybenzaldehyde;4-CYANO-2-METHOXYBENZALDEHYDE,Finerenone;3-Formyl-3-methoxybenzonitrile | | CAS: | 21962-45-8 | | MF: | C9H7NO2 | | MW: | 161.16 | | EINECS: | 804-777-4 | | Product Categories: | Intermediate;21962-45-8 | | Mol File: | 21962-45-8.mol |  |
| | 4-formyl-3-methoxybenzonitrile Chemical Properties |
| Melting point | 109-111℃ | | Boiling point | 318℃ | | density | 1.18 | | vapor pressure | 0.003-2.3Pa at 20-80℃ | | Fp | 138℃ | | storage temp. | under inert gas (nitrogen or Argon) at 2-8°C | | Appearance | Off-white to light yellow Solid | | 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 Codes | Xi | | Risk Statements | 43 | | Safety Statements | 36/37 | | HS Code | 2926907090 |
| | 4-formyl-3-methoxybenzonitrile Usage And Synthesis |
| Uses | 4-formyl-3-methoxybenzonitrile is a Finerenone intermediate compound. Finerenone is a non-steroidal salicorticosteroid receptor antagonist used to reduce the risk of serious kidney and heart problems in patients with chronic kidney disease associated with type 2 diabetes. | | 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 (4-formyl-3-methoxybenzonitrile) is obtained as a white solid.
| | References | [1] Journal of Medicinal Chemistry, 2007, vol. 50, # 10, p. 2468 - 2485
[2] Patent: EP1719767, 2006, A1. Location in patent: Page/Page column 24-26; 28; 33 |
| | 4-formyl-3-methoxybenzonitrile Preparation Products And Raw materials |
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