(S)-1-(3-(dimethylamino)propyl)-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile
$900.00
CAS No.: 128196-01-0
Catalog No.: LT0140
Purity: 95%
MF: C20H21FN2O
MW: 324.399
Storage: 2-8 degree Celsius
SMILES: CN(CCC[C@]1(OCC2=CC(=CC=C12)C#N)C1=CC=C(C=C1)F)C
Catalog No.: LT0140
Purity: 95%
MF: C20H21FN2O
MW: 324.399
Storage: 2-8 degree Celsius
SMILES: CN(CCC[C@]1(OCC2=CC(=CC=C12)C#N)C1=CC=C(C=C1)F)C
CAS NO.: 128196-01-0;(S)-1-(3-(dimethylamino)propyl)-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile. PROPERTIES: This chiral nitrile compound presents as a white crystalline solid with a molecular weight of approximately 345.4 g/mol. The (S)-1-(3-(dimethylamino)propyl)-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile combines a chiral dimethylamino propyl chain with a fluorophenyl substituent and an isobenzofuran framework. It exhibits limited aqueous solubility but good dissolution in DMSO and DMF. Stability characterization reveals sensitivity to acid-catalyzed amine protonation and base-promoted nitrile hydrolysis, necessitating storage at 2-8 degree Celsius in sealed glass containers. Handlers should use powder hoods with HEPA filtration and wear cut-resistant gloves during handling. Skin contact may cause localized edema requiring corticosteroid application. Inhalation may induce respiratory alkalosis; treatment includes humidified oxygen administration. Eye exposure requires chelation inhibitors and ophthalmology evaluation. Waste should be hydrolyzed with dilute acid prior to disposal. APPLICATIONS: The (S)-1-(3-(dimethylamino)propyl)-1-(4-fluorophenyl)-1,3-dihydroisobenzofuran-5-carbonitrile serves as a key intermediate in the synthesis of various pharmaceuticals. Its chiral dimethylamino propyl group provides opportunities for constructing muscarinic receptor modulators and beta-blockers. Research teams utilize this compound as a starting material for creating serotonin receptor modulators and antipsychotic agents. The fluorophenyl group enhances metabolic resistance in resulting drug candidates. Additionally, it serves as a building block for creating GABA receptor modulators with enhanced subtype selectivity and fluorescent probes for bioimaging applications. Its nitrile group can be further functionalized to amines or acids for additional diversification in medicinal chemistry.
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