ChemicalBook--->CAS DataBase List--->340702-10-5

340702-10-5

340702-10-5 Structure

340702-10-5 Structure
IdentificationBack Directory
[Name]

1H-Isoindol-1-one,6-fluoro-2,3-dihydro-(9CI)
[CAS]

340702-10-5
[Synonyms]

6-fluoroisoindolin-one
6-Fluoro-1-isoindolinone
6-fluoroisoindolin-1-one
6-Fluoro-2,3-dihydro-isoindol-1-one
6-Fluoro-2,3-dihydro-1H-isoindol-1-one
1H-Isoindol-1-one,6-fluoro-2,3-dihydro-
H-Isoindol-1-one,6-fluoro-2,3-dihydro-(9CI)
1H-Isoindol-1-one,6-fluoro-2,3-dihydro-(9CI)
[Molecular Formula]

C8H6FNO
[MDL Number]

MFCD09701283
[MOL File]

340702-10-5.mol
[Molecular Weight]

151.139
Chemical PropertiesBack Directory
[storage temp. ]

Sealed in dry,2-8°C
[form ]

Solid
[Appearance]

White to light yellow Solid
[InChI]

InChI=1S/C8H6FNO/c9-6-2-1-5-4-10-8(11)7(5)3-6/h1-3H,4H2,(H,10,11)
[InChIKey]

TWGFYAUQRMVTSI-UHFFFAOYSA-N
[SMILES]

C1(=O)C2=C(C=CC(F)=C2)CN1
[CAS DataBase Reference]

340702-10-5
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P271-P261-P280
[HS Code ]

2933998090
Spectrum DetailBack Directory
[Spectrum Detail]

1H-Isoindol-1-one,6-fluoro-2,3-dihydro-(9CI)(340702-10-5)1HNMR
Hazard InformationBack Directory
[Synthesis]

Methyl 2-cyano-5-fluorobenzoate

606080-43-7

1H-Isoindol-1-one,6-fluoro-2,3-dihydro-(9CI)

340702-10-5

The general procedure for the synthesis of 6-fluoroisoindolin-1-one from methyl 2-cyano-5-fluorobenzoate was as follows: methyl 2-cyano-5-fluorobenzoate (10 g, 56 mmol) was dissolved in methanol (200 mL) at room temperature, followed by the addition of 10% palladium carbon catalyst (1.0 g). The reaction mixture was placed in a hydrogen (50 psi) atmosphere and the reaction was stirred overnight. Upon completion of the reaction, the catalyst was removed by diatomaceous earth filtration and the filtrate was concentrated under reduced pressure to afford the target product 6-fluoroisoindolin-1-one as a colorless solid (8.0 g, 90% yield). Mass spectrometry (electrospray ionization): m/z calculated value C8H7FNO [M+H]+ 152, measured value 152.

[References]

[1] Patent: US2017/144996, 2017, A1. Location in patent: Paragraph 0141; 0144;l 0145
[2] Patent: WO2017/87607, 2017, A1. Location in patent: Paragraph 0190
[3] Patent: WO2017/87610, 2017, A1. Location in patent: Paragraph 0127
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