4'-(4-AMINOPHENYL)-2,2':6',2''-TERPYRIDINE
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4'-(4-AMINOPHENYL)-2,2':6',2''-TERPYRIDINE
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CAS No:
178265-65-1
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Formula:
C21H16N4
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Chemical Name:
4'-(4-AMINOPHENYL)-2,2':6',2''-TERPYRIDINE
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Synonyms:
4-([2,2":6",2""-Terpyridin]-4"-yl)aniline;4"-(4-aminophenyl)-2,2":6",2""-terpyridine;4-(2,6-dipyridin-2-ylpyridin-4-yl)aniline;Benzenamine, 4-[2,2":6",2""-terpyridin]-4"-yl-;SCHEMBL4343473;DTXSID60446223;MFCD06796989;ZINC35654129;AK142621;AS-50143
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CAS No:
4'-(4-AMINOPHENYL)-2,2':6',2''-TERPYRIDINE Basic Attributes
324.38
324.13700
DTXSID60446223
2933399090
Characteristics
64.7
3.1
1.213±0.06 g/cm3(Predicted)
253-254 °C
513.0±45.0 °C(Predicted)
296.8ºC
1.659
4'-(4-AMINOPHENYL)-2,2':6',2''-TERPYRIDINE Use and Manufacturing
This compound was prepared following the procedure reportedby Das et al. with minor modification [30]. In a 500-mL round-bottomflask, 0.95 g of nitrophenyl terpyridine 3 (2.7 mmol), 250 mgof palladium on carbon (5percent Pd-loading), and 200 mL of absoluteethanol were added. The resulting suspension was purged with argonfor 15 min and brought to reflux under argon. 3.4 mL of hydrazinemonohydrate (3.5 g, 70 mmol) was added, and the mixturefurther refluxed under argon for 2 h, during which time the nitrophenylterpyridine 3 dissolved completely. After cooling down themedium to room temperature, the catalyst was removed by vacuumfiltration over a Celite short plug and washed with dichloromethane(3 100 mL). The filtrate was concentrated underreduced pressure until white needles started to crystallize out ofthe medium (75 mL). The saturated solution was then stored at4 C overnight. The grown crystals were recovered by vacuum filtrationand washed with cold ethanol (3 50 mL). The aminophenylterpyridine 4 was obtained as white needles. Yield: 547 mg(1.7 mmol, 63percent). 1H NMR spectrum was in good agreement withthe data previously reported in the literature [30].In a 100mL round bottom flask a mixture of compound A (0.46g, 1.3mmol) and SnCl
Computed Properties
Molecular Weight:324.4
XLogP3:3.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:324.137496527
Monoisotopic Mass:324.137496527
Topological Polar Surface Area:64.7
Heavy Atom Count:25
Complexity:381
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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4'-(4-AMINOPHENYL)-2,2':6',2''-TERPYRIDINE
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