ChemicalBook--->CAS DataBase List--->178984-56-0

178984-56-0

178984-56-0 Structure

178984-56-0 Structure
IdentificationBack Directory
[Name]

7-BENZYLOXY-4-CHLOROQUINOLINE
[CAS]

178984-56-0
[Synonyms]

102579
4-chloro-7-(phenylMethoxy
4-chloro-7-benzoxyquinoline
4-chloro-7-phenoxy-quinoline
7-BENZYLOXY-4-CHLOROQUINOLINE
4-chloro-7-phenylmethoxyquinoline
Quinoline, 4-chloro-7-(phenylmethoxy)-
7-BENZYLOXY-4-CHLOROQUINOLINE ISO 9001:2015 REACH
[Molecular Formula]

C16H12ClNO
[MDL Number]

MFCD06659039
[MOL File]

178984-56-0.mol
[Molecular Weight]

269.73
Chemical PropertiesBack Directory
[Boiling point ]

414.1±30.0 °C(Predicted)
[density ]

1.263±0.06 g/cm3(Predicted)
[storage temp. ]

Inert atmosphere,2-8°C
[pka]

3.86±0.27(Predicted)
[Appearance]

White to light yellow Solid
Safety DataBack Directory
[Symbol(GHS) ]


GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H335
[Precautionary statements ]

P261-P305+P351+P338
Spectrum DetailBack Directory
[Spectrum Detail]

7-BENZYLOXY-4-CHLOROQUINOLINE(178984-56-0)1HNMR
Hazard InformationBack Directory
[Synthesis]

7-BENZYLOXY-4-HYDROXY-QUINOLINE

749922-34-7

7-BENZYLOXY-4-CHLOROQUINOLINE

178984-56-0

Step 3) Synthesis of 7-(benzyloxy)-4-chloroquinoline: 7-(benzyloxy)quinolin-4-ol (72 g, 287 mmol) was suspended in toluene (134 mL), and phosphorus trichloride (44 g, 287 mmol, source: Tianjin FuChen Chem. Co. Ltd.) was added. The suspension was heated to 120 °C and maintained for 1 hour. After completion of the reaction, the mixture was cooled to 70 °C and diluted with EtOAc (600 mL). The resulting mixture was stirred in an ice bath for 30 min and cooled to 15 °C. Subsequently, the mixture was neutralized with 3M NaOH aqueous solution to pH 7~8, keeping the solution temperature below 20°C during the process. The aqueous layer was separated and the organic layer was extracted with EtOAc. The combined organic layers were washed with brine (200 mL), dried over anhydrous Na2SO4, and concentrated in vacuum to give 7-benzyloxy-4-chloroquinoline as a light yellow solid (70.8 g, 91.6% yield). Mass spectrum (ESI, positive ion mode) m/z: 270.1 [M + 1]; 1H NMR (400 MHz, DMSO-d6) δ: 5.31 (s, 2H), 7.35 (t, 1H), 7.42 (t, J = 7.2Hz, 2H), 7.47 (dd, J = 2.8Hz, J = 9.2Hz, 1H), 7.52 (d, J = 7.6 Hz, 2H), 7.13 (t, J = 4.8 Hz, 2H), 8.11 (d, J = 9.6 Hz, 1H), 8.75 (d, J = 4.8 Hz, 1H).

[References]

[1] Patent: US2012/219522, 2012, A1. Location in patent: Page/Page column 20
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