4-FLUORO-ISOINDOLINE HCL Chemical Properties

Melting point:

212-222℃

storage temp. 

2-8°C

form 

solid

Appearance

Light brown to brown Solid

InChI

InChI=1S/C8H8FN.ClH/c9-8-3-1-2-6-4-10-5-7(6)8;/h1-3,10H,4-5H2;1H

InChIKey

MKNPYNGKUKUSFB-UHFFFAOYSA-N

SMILES

FC1C=CC=C2CNCC=12.Cl

Safety Information

Hazard Codes 

Xi

Risk Statements 

36/37/38

Safety Statements 

22-26-36/37/39

RIDADR 

UN 3335

WGK Germany 

3

4-FLUORO-ISOINDOLINE HCL Usage And Synthesis

Chemical Properties

An off-white powder

Uses

4-Fluoroisoindoline, HCl

Synthesis

General procedure for the synthesis of 4-fluoroisoindoline hydrochloride from the compound (CAS: 685565-16-6): to a solution of compound 3 (56 g, 0.246 mol) in methanol (300 mL) was slowly added concentrated hydrochloric acid (30 mL, 0.36 mol) and 5% Pd/C catalyst (20 g). The reaction mixture was placed under hydrogen atmosphere and stirred at room temperature for 48 hours. Upon completion of the reaction, the catalyst was removed by filtration and the filtrate was concentrated to afford the target product 4-fluoroisoindoline hydrochloride as a yellow solid (38 g, 89% yield). The product was characterized as follows: 1H NMR (300 MHz, D2O): δ 1M-1.22 (m, 1H), 7.00-7.03 (m, 1H), 6.88-6.94 (m, 1H), 4.50-4.52 (d, 4H). lc-MS: 138 (M + H)+.

References

[1] Patent: WO2009/46098, 2009, A1. Location in patent: Page/Page column 68-69

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