| Identification | More | [Name]
1-(4-Fluorophenyl)-1,3-dihydro isobenzofuran-5-carbonitile | [CAS]
64169-67-1 | [Synonyms]
1-(4-Fluorophenyl)-1,3-dihydro isobenzofuran-5-carbonitile
1-(4-FLUOROPHENYL)-1,3-DIHYDROISOBENZOFURAN-5-CARBONITRILE
5-cyano-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran
1-(4-FLUOROPHENYL)-1,3-DIHYDRO-5-ISOBENZOFURANCARBONITRILE
1-(4-Fluorophenyl)-1,3-dihyrosobenzofuran-5-carbonitrile
1-(4-fluorophenyl)-1,3-dihydro-iso benzofuran-5-carbonibrile
RAC-1-(4-FLUORO-PHENYL)-1,3-DIHYDRO-ISOBEZOFURAN-5-CARBONITRILE
1-(4-Fluorophenyl)-1,3-dihydroisobenzofurane-5-cyano
1-(4-fluorophenyl)-1,3-dihydro-iosbenzofuran-5-carbonitrile | [Molecular Formula]
C15H10FNO | [MDL Number]
MFCD06200812 | [Molecular Weight]
239.24 | [MOL File]
64169-67-1.mol |
| Chemical Properties | Back Directory | [Appearance]
white to light yellow crystal powde | [Melting point ]
95-97°C | [Boiling point ]
375°C | [density ]
1.29 | [storage temp. ]
Sealed in dry,Store in freezer, under -20°C | [solubility ]
Chloroform (Slightly), Dichloromethane, Methanol (Slightly, Sonicated) | [form ]
Solid | [color ]
White to Light Yellow | [Usage]
An intermediate in the synthesis of Citalopram | [CAS DataBase Reference]
64169-67-1(CAS DataBase Reference) |
| Hazard Information | Back Directory | [Chemical Properties]
white to light yellow crystal powde | [Uses]
An intermediate in the synthesis of Citalopram | [Uses]
An intermediate in the synthesis of Citalopram. | [Synthesis]
GENERAL STEPS: A solution of 4-fluorophenylmagnesium bromide was prepared by reacting 153.33 g (0.876 mol) of 4-fluorobenzene bromide, 25.33 g (1.055 mol) of magnesium scrapings and 0.05 g of iodine in 300 mL of anhydrous tetrahydrofuran. This Grignard reagent solution was slowly added to a suspension of 100 g (0.628 mol) 5-cyanophthalide. The reaction was carried out in 1000 mL of dichloromethane and the temperature was maintained at -6 to -2°C. Upon completion of the reaction, post-processing was carried out as in Example 1 to give a thick semi-solid product. This semi-solid was ground with 500 mL of isopropanol (IPA) and cooled at 0-5 °C to give the solid product 5-cyano-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran (2b). The solid was collected by filtration and washed with cold 50 mL IPA. The yield of the product was 130-140 g and the HPLC purity was 99.32%. | [References]
[1] Patent: WO2004/20425, 2004, A1. Location in patent: Page 11
[2] Patent: WO2004/20425, 2004, A1. Location in patent: Page 13-14 |
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