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4-formyl-3-methoxybenzonitrile

4-formyl-3-methoxybenzonitrile ??? ???
?? ??:
21962-45-8
???:
4-formyl-3-methoxybenzonitrile
???(??):
4-forMyl-3-Methoxybenzonitrile;4-Cyaon-2-methoxybenzaldehyde;Finerenone Impurity 111;2-Methoxy-4-cyanobenzaldehyde;4-CYANO-2-METHOXYBENZALDEHYDE;4-Cyan0-2-methoxybenzaldehyde;4-Formyl-3-methoxybenzonitril;3-Formyl-3-methoxybenzonitrile;Benzonitrile, 4-formyl-3-methoxy-;Para-tert-Butyl Benzene Sulfonamide
CBNumber:
CB8684633
???:
C9H7NO2
??? ??:
161.16
MOL ??:
21962-45-8.mol

4-formyl-3-methoxybenzonitrile ??

???
109-111℃
?? ?
318℃
??
1.18
???
0.003-2.3Pa at 20-80℃
???
138℃
?? ??
under inert gas (nitrogen or Argon) at 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
??
  • ?? ? ?? ??
  • ?? ? ???? ?? (GHS)
??? ?? Xi
?? ???? ?? 43
????? 36/37
HS ?? 2926907090
????(GHS): GHS hazard pictograms
?? ?: Danger
??·?? ??:
?? ??·?? ?? ?? ?? ?? ?? ? ?? ?? P- ??
H318 ?? ?? ??? ??? ?? ? ?? ?? ??? ?? ?? 1 ?? GHS hazard pictograms P280, P305+P351+P338, P310
??????:
P280 ????/???/???/?????? ?????.
P305+P351+P338 ?? ??? ? ?? ?? ???? ????. ???? ?????? ?????. ?? ????.

4-formyl-3-methoxybenzonitrile C??? ??, ??, ??

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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. 4-CYANO-2-METHOXYBENZALDEHYDE

4-formyl-3-methoxybenzonitrile ?? ?? ? ???

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4-formyl-3-methoxybenzonitrile ?? ??

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4-formyl-3-methoxybenzonitrile ?? ??:

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