ChemicalBook--->CAS DataBase List--->13327-31-6

13327-31-6

13327-31-6 Structure

13327-31-6 Structure
IdentificationBack Directory
[Name]

6-Iodoquinoline
[CAS]

13327-31-6
[Synonyms]

6-IodoquinoL
6-Iodchinolin
6-Iodoquinolone
6-IODOQUINOLINE
Quinoline, 6-iodo-
6-Iodoquinoline>
6-Iodo-1-azanaphthalene
6-Iodoquinoline ISO 9001:2015 REACH
[EINECS(EC#)]

663-773-9
[Molecular Formula]

C9H6IN
[MDL Number]

MFCD08457906
[MOL File]

13327-31-6.mol
[Molecular Weight]

255.06
Chemical PropertiesBack Directory
[Melting point ]

91°C
[Boiling point ]

120 °C(Press: 1 Torr)
[density ]

1.7856 (estimate)
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[solubility ]

soluble in Methanol
[form ]

powder to crystal
[pka]

4.23±0.10(Predicted)
[color ]

White to Light yellow to Light orange
[InChIKey]

WKTASELJZCIVBR-UHFFFAOYSA-N
[CAS DataBase Reference]

13327-31-6
Safety DataBack Directory
[Hazard Codes ]

Xn
[Risk Statements ]

22-41
[Safety Statements ]

26-24/25
[WGK Germany ]

3
[HS Code ]

29334900
Hazard InformationBack Directory
[Uses]

Reactant for:
  • Room temperature CuI-catalyzed N-arylation using 2-pyridinyl β-ketones ligands
[Synthesis]

6-Bromoquinoline

5332-25-2

6-Iodoquinoline

13327-31-6

General procedure for the synthesis of 6-iodoquinoline from 6-bromoquinoline: sodium iodide (4.32 g, 28.8 mmol), copper(I) iodide (137 mg, 0.72 mmol), N,N'-dimethyl-cyclohexane-1,2-diamine (0.227 mL, 1.44 mmol) and 6-bromoquinoline (3 g, 14.4 mmol) in a solution of dioxane (15 mL). The reaction tube was flushed with nitrogen and sealed with a PTFE septum. Nitrogen was bubbled into the solution through a needle for 10 min to ensure that gas escaped through the needle. After removing the needle, the reaction mixture was stirred at 110°C for 15 hours. Upon completion of the reaction, the green suspension was cooled to room temperature, poured into ice water and extracted with dichloromethane. The organic layer was collected, dried with anhydrous magnesium sulfate, filtered and concentrated in vacuum. The crude product was purified by silica gel column chromatography, eluting sequentially with 100% dichloromethane and dichloromethane/methanol (95:5, v/v) to afford 3.56 g (97% yield) of 6-iodoquinoline as a light yellow solid.1H-NMR (DMSO-d6) δ: 8.93 (1H, dd, J = 1.5, 4.1 Hz), 8.47 (1H, d, J = 2.0 Hz ), 8.33 (1H, d, J = 8.6 Hz), 8.02 (1H, dd, J = 2.0, 8.6 Hz), 7.80 (1H, d, J = 8.6 Hz), 7.56 (1H, dd, J = 4.1, 8.6 Hz).

[References]

[1] Patent: WO2007/75567, 2007, A1. Location in patent: Page/Page column 117-118
[2] Patent: WO2011/18454, 2011, A1. Location in patent: Page/Page column 63-64
[3] Patent: WO2011/20861, 2011, A1. Location in patent: Page/Page column 69
[4] Patent: WO2008/155378, 2008, A1. Location in patent: Page/Page column 70-71
[5] Patent: CN104250257, 2017, B. Location in patent: Paragraph 0258-0260
Spectrum DetailBack Directory
[Spectrum Detail]

6-Iodoquinoline(13327-31-6)1HNMR
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