4,5-Dimethoxy-1-cyanobenzocyclobutane
4,5-Dimethoxy-1-cyanobenzocyclobutane Basic information
- Product Name:
- 4,5-Dimethoxy-1-cyanobenzocyclobutane
- Synonyms:
-
- 3,4-Dimethoxybicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile
- 4,5-Dimethoxy-1-benzocyclobutenecarbonitrile
- 4,5-Dimethoxy-1-cyanobenzocyclobutane
- Bicyclo[4.2.0]octa-1,3,5-triene-7-carbonitrile,3,4-diMethoxy-
- 4,5-DiMethxoy-1,2-dihydrocyclobutabenzene-1-carbonitrile
- 2-cyclobutyl-2-(3,4-diMethoxyphenyl)acetonitrile
- 3,4-dimethoxybicyclo[4.2.0]octa-1,3,5-triene-8-carbonitrile
- 1,2-Dihydro-4,5-diMethoxybenzocyclobutene-1-carbonitrile
- CAS:
- 35202-54-1
- MF:
- C11H11NO2
- MW:
- 189.21
- EINECS:
- 609-091-7
- Mol File:
- 35202-54-1.mol
4,5-Dimethoxy-1-cyanobenzocyclobutane Chemical Properties
- 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
- InChI
- InChI=1S/C11H11NO2/c1-13-10-4-7-3-8(6-12)9(7)5-11(10)14-2/h4-5,8H,3H2,1-2H3
- InChIKey
- HJTHVTHXHHFXMJ-UHFFFAOYSA-N
- SMILES
- C12C(C(C#N)C1)=CC(OC)=C(OC)C=2
- LogP
- 1.22 at 30℃ and pH7
- CAS DataBase Reference
- 35202-54-1(CAS DataBase Reference)
4,5-Dimethoxy-1-cyanobenzocyclobutane Usage And Synthesis
Uses
4,5-Dimethoxy-1-benzocyclobutenecarbonitrile is used in the preparation of selective bradycardic agents.
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%).
References
[1] Patent: WO2011/138625, 2011, A1. Location in patent: Page/Page column 31-32
[2] Journal of Chemical Research, 2009, # 7, p. 420 - 422
[3] Patent: US2014/107334, 2014, A1. Location in patent: Paragraph 0048-0051
[4] Patent: US2014/128598, 2014, A1. Location in patent: Paragraph 0040-0043
[5] Patent: US2014/163220, 2014, A1. Location in patent: Paragraph 0034-0037
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