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HomeProduct name list5-Cyanophthalide

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: 2024-08-05 12:01:54
5-Cyanophthalide Structural

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)
ghs
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

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