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35202-54-1

35202-54-1 Structure

35202-54-1 Structure
IdentificationMore
[Name]

4,5-Dimethoxy-1-cyanobenzocyclobutane
[CAS]

35202-54-1
[Synonyms]

1-Cyano-4,5-dimethoxybenzocyclobutene
3,4-Dimethoxybicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile
4,5-Dimethoxy-1-benzocyclobutenecarbonitrile
4,5-Dimethoxy-1-cyanobenzocyclobutane
3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-triene-8-carbonitrile
[EINECS(EC#)]

609-091-7
[Molecular Formula]

C11H11NO2
[MDL Number]

MFCD01846132
[Molecular Weight]

189.21
[MOL File]

35202-54-1.mol
Chemical PropertiesBack Directory
[Melting point ]

83-84 °C
[Boiling point ]

345.9±42.0 °C(Predicted)
[density ]

1.18
[vapor pressure ]

0.004Pa at 25℃
[storage temp. ]

Sealed in dry,Room Temperature
[solubility ]

DMSO, Methanol
[form ]

Solid
[color ]

Light Brown
[LogP]

1.22 at 30℃ and pH7
[CAS DataBase Reference]

35202-54-1(CAS DataBase Reference)
Safety DataBack Directory
[HS Code ]

2926907090
Hazard InformationBack Directory
[Uses]

4,5-Dimethoxy-1-cyanobenzocyclobutane is used in the preparation of selective bradycardic agents.
[Synthesis]

NaNH2 (39.0 g, 1.0 mol) was added in portions to a solution of hydrocinnamonitrile 8 (224.0 g, 0.83 mol) in liquid ammonia at -45°C, and the reaction mixture was stirred at -45 °C for 2 h. After evaporation of the excess NH3, NH4Cl (20.0 g) and water (1000 mL) were added in portions. After standing at room temperature, greyish crystals separated and were collected and recrystallised with ethanol to give 4,5-Dimethoxy-1-cyanobenzocyclobutane as a colourless powder. Yield 116.5 g (74%).
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