5-Cyanophthalide
Synonym(s):1,3-Dihydro-1-oxo-5-isobenzofurancarbonitrile;5-Cyano-3H-isobenzofuranone
- CAS NO.:82104-74-3
- Empirical Formula: C9H5NO2
- Molecular Weight: 159.14
- MDL number: MFCD01072882
- EINECS: 279-900-2
- SAFETY DATA SHEET (SDS)
- Update Date: 2025-09-24 16:57:48
What is 5-Cyanophthalide?
Chemical properties
White to Pale Yellow Crystalline Solid
The Uses of 5-Cyanophthalide
5-Cyanophthalide is a useful synthetic intermediate.
What are the applications of Application
5-Cyanophthalide is a synthetic intermediate
Description
5-Cyanophthalide (1-oxo-1,3-dihydro-isobenzofuran-5-carbonitrile) is an intermediate used for the synthesis of citalopram and its active enantiomer S(+) citalopram, both of which are known active ingredients commonly used for treating depression. Citalopram is a well-known Serotonin reuptake inhibitor. The original approach in preparing this drug required the reaction of intermediate 5-Cyanophthalide with the appropriate Grignard reagents to introduce the requisite side chains.
Properties of 5-Cyanophthalide
| Melting point: | 201-205 °C(lit.) |
| Boiling point: | 407.5±45.0 °C(Predicted) |
| Density | 1.36±0.1 g/cm3(Predicted) |
| vapor pressure | 0.012Pa at 25℃ |
| storage temp. | Sealed in dry,Room Temperature |
| solubility | Acetone (Slightly), Chloroform (Slightly), Methanol (Slightly) |
| form | Crystalline Powder |
| color | White to light yellow |
| CAS DataBase Reference | 82104-74-3(CAS DataBase Reference) |
Safety information for 5-Cyanophthalide
| Signal word | Warning |
| Pictogram(s) |
![]() Exclamation Mark Irritant GHS07 |
| GHS Hazard Statements |
H302:Acute toxicity,oral H312:Acute toxicity,dermal H332:Acute toxicity,inhalation |
| Precautionary Statement Codes |
P280:Wear protective gloves/protective clothing/eye protection/face protection. |
Computed Descriptors for 5-Cyanophthalide
| InChIKey | XEEGWTLAFIZLSF-UHFFFAOYSA-N |
5-Cyanophthalide manufacturer
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