| Identification | Back Directory | [Name]
3-oxoisoindoline-5-carbonitrile | [CAS]
1261726-80-0 | [Synonyms]
3-oxoisoindoline-5-carbonitrile
2,3-Dihydro-3-oxo-1H-isoindole-5-carbonitrile
1H-Isoindole-5-carbonitrile, 2,3-dihydro-3-oxo- | [Molecular Formula]
C9H6N2O | [MDL Number]
MFCD12924851 | [MOL File]
1261726-80-0.mol | [Molecular Weight]
158.16 |
| Chemical Properties | Back Directory | [Boiling point ]
464.2±45.0 °C(Predicted) | [density ]
1.33±0.1 g/cm3(Predicted) | [storage temp. ]
Sealed in dry,Room Temperature | [pka]
13.03±0.20(Predicted) | [Appearance]
Off-white to light brown Solid |
| Hazard Information | Back Directory | [Synthesis]
General procedure for the synthesis of 6-cyanoisoindolin-1-one from methyl 2-(bromomethyl)-5-cyanobenzoate:
A) Synthesis of 3-oxoisoindoline-5-carbonitrile
Methyl 2-(bromomethyl)-5-cyanobenzoate (5.7 g) was dissolved in methanol (100 mL) and 28% ammonia (109 mL) was added to this solution. The reaction mixture was stirred at room temperature for 1 hour. Upon completion of the reaction, the solvent was removed by concentration under reduced pressure. Water was added to the concentrated residue and the precipitated solid was collected by filtration and washed with ethanol to give the final 6-cyanoisoindolin-1-one (3.12 g). Mass spectrometry (API+) analysis resulted in a measured value of 159.1 (M + 1). | [References]
[1] Patent: EP3327019, 2018, A1. Location in patent: Paragraph 0292 |
|
| Company Name: |
SynAsst Chemical.
|
| Tel: |
021-60343070 |
| Website: |
www.yuhua99.com/ShowSupplierProductsList15848/0_EN.htm |
|