ChemicalBook--->CAS DataBase List--->848841-64-5

848841-64-5

848841-64-5 Structure

848841-64-5 Structure
IdentificationBack Directory
[Name]

1,8-Dichloroisoquinoline
[CAS]

848841-64-5
[Synonyms]

1,8-Dichloroisoquinoline
Isoquinoline, 1,8-dichloro-
1,8-Dichloroisoquinoline ISO 9001:2015 REACH
[Molecular Formula]

C9H5Cl2N
[MDL Number]

MFCD15526764
[MOL File]

848841-64-5.mol
[Molecular Weight]

198.05
Chemical PropertiesBack Directory
[storage temp. ]

Inert atmosphere,Room Temperature
[Appearance]

Light yellow to yellow Solid
Spectrum DetailBack Directory
[Spectrum Detail]

1,8-Dichloroisoquinoline(848841-64-5)1HNMR
Hazard InformationBack Directory
[Synthesis]

8-Chloroisoquinoline

34784-07-1

1,8-Dichloroisoquinoline

848841-64-5

Procedure for the synthesis of 1,8-dichloroisoquinoline: To a solution of 8-chloroisoquinoline (11 g, 54 mmol) in dichloromethane (200 mL) was added m-chloroperoxybenzoic acid (MCPBA, 25 g, 112 mmol) in batches. The reaction mixture was stirred for 3 hours and then ether (400 mL) and hexane (1 L) were added. The mixture was stirred overnight and subsequently concentrated under vacuum. Ether (200 mL) and hexane (400 mL) were added to the concentrate and stirred again overnight. The precipitate was collected by filtration, air dried and mixed with silica gel (20 g) and toluene (150 mL). The mixture was heated to reflux for 3 hours and neutralized with sodium bicarbonate (NaHCO3) when the reaction was complete. The reaction mixture was extracted with dichloromethane (CH2Cl2) and the organic layer was dried over anhydrous sodium sulfate and concentrated in vacuum to give 1,8-dichloroisoquinoline (8 g, 72% yield). Mass spectrum (MS): 198.

[References]

[1] Patent: WO2005/28444, 2005, A1. Location in patent: Page/Page column 67-68
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