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℃

Flash point:

138℃

storage temp. 

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

Safety Information

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.

4-formyl-3-methoxybenzonitrile(21962-45-8)Related Product Information

• 4-Cyano-2-methoxyphenylboronic acid
• 4-tert-Butylbenzaldehyde
• 2-CYANO-4-METHOXYBENZALDEHYDE
• Benzonitrile, 3-hydroxy-4-methyl-
• 6-CYANO-4-CHROMANONE
• 3-METHOXY-4-METHYLBENZONITRILE
• Benzonitrile, 4-formyl-3-hydroxy-
• 4-CYANO-2-METHOXYBENZALDEHYDE