[ CAS No. 106047-28-3 ] {[proInfo.proName]}

Name: 106047-28-3|6-Bromo-2,3'-bipyridine|95%
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Quality Control of [ 106047-28-3 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

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Product Details of [ 106047-28-3 ]

CAS No. :	106047-28-3	MDL No. :	MFCD11869547
Formula :	C₁₀H₇BrN₂	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	LKCXTRCHSSUWJH-UHFFFAOYSA-N
M.W :	235.08	Pubchem ID :	13546454
Synonyms :

Calculated chemistry of [ 106047-28-3 ]

Physicochemical Properties

Num. heavy atoms :	13
Num. arom. heavy atoms :	12
Fraction Csp3 :	0.0
Num. rotatable bonds :	1
Num. H-bond acceptors :	2.0
Num. H-bond donors :	0.0
Molar Refractivity :	55.17
TPSA :	25.78 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-5.97 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.13
Log Po/w (XLOGP3) :	2.48
Log Po/w (WLOGP) :	2.91
Log Po/w (MLOGP) :	1.61
Log Po/w (SILICOS-IT) :	3.17
Consensus Log Po/w :	2.46

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	0.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-3.48
Solubility :	0.0784 mg/ml ; 0.000333 mol/l
Class :	Soluble
Log S (Ali) :	-2.67
Solubility :	0.507 mg/ml ; 0.00216 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-5.03
Solubility :	0.0022 mg/ml ; 0.00000938 mol/l
Class :	Moderately soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.46

Safety of [ 106047-28-3 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P280-P305+P351+P338	UN#:	N/A
Hazard Statements:	H302	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 106047-28-3 ]

* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.

Upstream synthesis route of [ 106047-28-3 ]
Downstream synthetic route of [ 106047-28-3 ]

[ 106047-28-3 ] Synthesis Path-Upstream 1~4

1
[ 220565-63-9 ]
[ 626-05-1 ]
[ 106047-28-3 ]

Yield	Reaction Conditions	Operation in experiment
40%	With bis-triphenylphosphine-palladium(II) chloride In tetrahydrofuran at 20℃; for 0.5 h; Inert atmosphere	General procedure: Into a 25 mL round-bottomed flask were added Pd(PPh₃)₂Cl₂ (0.06 g, 2.0 mol percent), 2,6-dibromopyridine (0.60 g, 2.5 mmol) and 5.0 mL of 4-(ethoxycarbonyl)-phenylzinc bromide (0.5 M in THF, 2.5 mmol) under an argon atmosphere at room temperature. The resulting mixture was stirred at room temperature for 0.5 h. Quenched with saturated NH₄Cl solution, then extracted with ethyl ether (10 mL × 3). Washed with saturated NaHCO₃, Na₂S₂O₃ solution and brine, then dried over anhydrous MgSO₄. Purification by column chromatography on silica gel (10percent ethyl acetate/90percent heptane) afforded 0.31 g of 3a in 50percent isolated yield as a white solid.

Reference： [1] Bulletin of the Korean Chemical Society, 2014, vol. 35, # 1, p. 280 - 282
[2] Tetrahedron, 2010, vol. 66, # 17, p. 3135 - 3146

2
[ 626-05-1 ]
[ 89878-14-8 ]
[ 106047-28-3 ]

Reference： [1] Chemical and Pharmaceutical Bulletin, 1985, vol. 33, # 11, p. 4755 - 4763
[2] Patent: EP1533304, 2005, A1, . Location in patent: Page/Page column 22

3
[ 626-55-1 ]
[ 626-05-1 ]
[ 106047-28-3 ]

Reference： [1] Synlett, 2002, # 6, p. 1008 - 1010
[2] Synthesis, 2009, # 22, p. 3823 - 3827

4
[ 1120-90-7 ]
[ 651358-83-7 ]
[ 106047-28-3 ]

Reference： [1] Organic Letters, 2009, vol. 11, # 2, p. 381 - 384

[ 106047-28-3 ] Synthesis Path-Downstream 1~21

1
[ 626-05-1 ]
[ 89878-14-8 ]
[ 106047-28-3 ]

Yield	Reaction Conditions	Operation in experiment
	With potassium hydroxide; tetrabutylammomium bromide;tetrakis(triphenylphosphine) palladium(0); In tetrahydrofuran; for 3h;Heating / reflux;	Step 1 2-bromo-6-(3-pyridyl)pyridine This compound was prepared by version of the method described in the document (Chem. Pharm. Bull., 1985, 33(11), 4755-4763.). To 40 ml of tetrahydrofuran, 1.76 g of diethyl(3-pyridyl)borane, 5.92 g of 2,6-dibromopyridine, 1.99 g of tetra-n-butylammonium bromide, 692 mg of tetrakis(triphenylphosphine)palladium (0) and 1.87 g of ground potassium hydroxide were added in turn and the mixture was heated at reflux for three hours under an argon atmosphere. After air cooling, the reaction solution was diluted with ethyl acetate and insolubles were removed by filtration. The solvent in the filtrate was distilled off under reduced pressure and ethyl acetate and saturated saline were added to the residue to separate the aqueous layer. The organic layer was dried over anhydrous magnesium sulfate and the solvent was distilled off under reduced pressure. The residue was purified by silica gel column chromatography to obtain 1.26 g of the objective compound as a pale yellow crystal. 1H-NMR(CDCl3)delta: 7.34-7.51(2H, m), 7.62-7.75(2H, m), 8.34(1H, dt), 8.67(1H, dd), 9.17(1H, d)

Reference： [1]Chemical and Pharmaceutical Bulletin,1985,vol. 33,p. 4755 - 4763
[2]Patent: EP1533304,2005,A1 .Location in patent: Page/Page column 22

2
[ 93830-58-1 ]
[ 106047-28-3 ]
[ 106047-30-7 ]

Reference： [1]Chemical and Pharmaceutical Bulletin,1985,vol. 33,p. 4755 - 4763

3
[ 626-55-1 ]
[ 626-05-1 ]
[ 106047-28-3 ]

Reference： [1]Synlett,2002,p. 1008 - 1010
[2]Synthesis,2009,p. 3823 - 3827

4
[ 106047-28-3 ]
[ 99-55-8 ]
1-methyl-4-nitro-2-[2-(pyridin-3-yl)pyridin-6-ylamino]benzene [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With caesium carbonate; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl;tris-(dibenzylideneacetone)dipalladium(0); In toluene; at 110℃; for 24h;	Step 2 1-methyl-4-nitro-2-[2-(3-pyridyl)pyridin-6-ylamino]benzene This compound was prepared by version of the method described in the document (J. Org. Chem., 2000, 65, 1144-1157.). To 940 mg of 2-bromo-6-(3-pyridyl)pyridine obtained in the step 1, 730 mg of 2-methyl-5-nitroaniline, 37 mg of tris(dibenzylideneacetone)dipalladium (0), 75 mg of (+-)-2,2'-bis(diphenylphosphino)-1,1'-binaphthyl [(+-)-BINAP] and 1.82 mg of cesium carbonate, 12 ml of toluene was added and the mixture was stirred with heating at 110C for 24 hours under an argon atmosphere. After air cooling, the reaction solution was diluted with ethyl acetate and insolubles were removed by filtration. The solvent in the filtrate was distilled off under reduced pressure and the residue was crystallized by adding diethyl ether. The resulting crystal was collected by filtration and then washed with ethyl acetate-diethyl ether to obtain 646 mg of the objective compound as a yellow crystal. Melting point: 148-150C 1H-NMR(CDCl3)delta: 2.42(3H, s), 6.53(1H, br), 6.80(1H, d), 7.35(2H, d), 7.44(1H, dd), 7.69(1H, m), 7.83(1H, dd), 8.44(1H, dt), 8.65(1H, dd), 9.09(1H, d), 9.20(1H, d)

Reference： [1]Patent: EP1533304,2005,A1 .Location in patent: Page/Page column 22; 23

5
[ 1120-90-7 ]
[ 651358-83-7 ]
[ 106047-28-3 ]

Reference： [1]Organic Letters,2009,vol. 11,p. 381 - 384

6
[ 220565-63-9 ]
[ 626-05-1 ]
[ 106047-28-3 ]

Yield	Reaction Conditions	Operation in experiment
40%	With bis-triphenylphosphine-palladium(II) chloride; In tetrahydrofuran; at 20℃; for 0.5h;Inert atmosphere;	General procedure: Into a 25 mL round-bottomed flask were added Pd(PPh3)2Cl2 (0.06 g, 2.0 mol %), 2,6-dibromopyridine (0.60 g, 2.5 mmol) and 5.0 mL of 4-(ethoxycarbonyl)-phenylzinc bromide (0.5 M in THF, 2.5 mmol) under an argon atmosphere at room temperature. The resulting mixture was stirred at room temperature for 0.5 h. Quenched with saturated NH4Cl solution, then extracted with ethyl ether (10 mL × 3). Washed with saturated NaHCO3, Na2S2O3 solution and brine, then dried over anhydrous MgSO4. Purification by column chromatography on silica gel (10% ethyl acetate/90% heptane) afforded 0.31 g of 3a in 50% isolated yield as a white solid.

Reference： [1]Bulletin of the Korean Chemical Society,2014,vol. 35,p. 280 - 282
[2]Tetrahedron,2010,vol. 66,p. 3135 - 3146

7
[ 106047-28-3 ]
4-fluorophenylzinc halide [ No CAS ]
C₁₆H₁₁FN₂ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
40%	With bis-triphenylphosphine-palladium(II) chloride; In tetrahydrofuran; at 20℃; for 0.5h;Inert atmosphere;	General procedure: Into a 25 mL round-bottomed flask were added Pd(PPh3)2Cl2 (0.06 g, 2.0 mol %), 2,6-dibromopyridine (0.60 g, 2.5 mmol) and 5.0 mL of 4-(ethoxycarbonyl)-phenylzinc bromide (0.5 M in THF, 2.5 mmol) under an argon atmosphere at room temperature. The resulting mixture was stirred at room temperature for 0.5 h. Quenched with saturated NH4Cl solution, then extracted with ethyl ether (10 mL × 3). Washed with saturated NaHCO3, Na2S2O3 solution and brine, then dried over anhydrous MgSO4. Purification by column chromatography on silica gel (10% ethyl acetate/90% heptane) afforded 0.31 g of 3a in 50% isolated yield as a white solid.

Reference： [1]Bulletin of the Korean Chemical Society,2014,vol. 35,p. 280 - 282

8
3,9-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-11-phenylbenzo[a]carbazole [ No CAS ]
[ 106047-28-3 ]
3,9-di([2,3'-bipyridine]-6-yl)-11-phenylbenzo[a]carbazole [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
16%	With potassium phosphate; tetrakis(triphenylphosphine) palladium(0); In N,N-dimethyl acetamide; at 120℃; for 3h;Inert atmosphere;	Under nitrogen, compound (a-6a), 2.73 g, 6-bromine-2,3'-bipyridine 2.47 g, tetrakis (triphenylphosphine)palladium (Pd(PPh3)4) 0.29 g, 4.24 g tripotassium phosphate, and N, N- dimethylacetamide 20 ml and put into the flask,At 120C was heated for 3 hours. After completion of the reaction, adding pure water to the reaction solution, and the precipitated solid was filtered, the resulting solid Silica gel column (solvent: toluene / ethyl acetate = 2/1 (volume ratio)) and purified, and subjected to sublimation purification, and for the purpose of the compound (1-1-66): 3,9-di([2,3'-bipyridine]-6-yl)-11-phenyl-benzo[a]carbazole, 0.5 g (yield: 16%)

Reference： [1]Patent: KR2015/24811,2015,A .Location in patent: Paragraph 0675; 0700-0703

9
9-([1,1'-biphenyl]-3yl)-11-phenyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[a]carbazole [ No CAS ]
[ 106047-28-3 ]
9-([1,1'-biphenyl]-3-yl)-3-([2,3'-bipyridine]-6-yl)-11-phenylbenzo[a]carbazole [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
44%	With potassium phosphate; tetrakis(triphenylphosphine) palladium(0); In N,N-dimethyl acetamide; at 120℃; for 6h;Inert atmosphere;	Under nitrogen, the compound (7a-b), 1.94 g, <strong>[106047-28-3]<strong>[106047-28-3]6-bromo-2,3'-bipyridin</strong>e</strong> 0.88 g, tetrakis (triphenylphosphine) palladium(0) (Pd (PPh3) 4) 0.16 g, 1.44 g tripotassium phosphate, and stirred for 14 ml N- dimethylacetamide put in a flask, At 120 C was heated for 6 hours. After completion of the reaction, in addition to pure water to the reaction solution, the precipitated solid was filtered (preparations). Obtained The solid was purified by silica gel column: (solvent of toluene / ethyl acetate = 10/1 (volume ratio)), and further subjected to sublimation refining, the object The compound (1-3-206) : 9-([1,1'-biphenyl]-3-yl)-3-([2,3'- bipyridine]-6-yl)-11-phenyl-benzo[a]carbazole 0.89 g (yield: 44%) was obtained.

Reference： [1]Patent: KR2015/24811,2015,A .Location in patent: Paragraph 0742; 0771-0774

10
C₃₈H₂₃N [ No CAS ]
[ 106047-28-3 ]
C₄₈H₂₉N₃ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
32%	With copper(l) iodide; 1,10-Phenanthroline; caesium carbonate; In 1,4-dioxane;Inert atmosphere; Reflux;	Pitching 100 mL flask was charged with intermediate (7) 0.5 g (1.01mmol), <strong>[106047-28-3]<strong>[106047-28-3]6-bromo-2,3'-bipyridin</strong>e</strong> (<strong>[106047-28-3]<strong>[106047-28-3]6-bromo-2,3'-bipyridin</strong>e</strong>) 0.36g (1.52mmol), CuI 38 mg (0.202mmol), into a 1,10-phenanthroline 91 mg (0.51mmol) and Cs2CO3 0.66 g (2.02mmol) was stirred under reflux by the addition of dioxane (dioxane) 10 mL under a nitrogen atmosphere. After completion of the reaction, the reaction was concentrated under reduced pressure, and the reaction was cooled to room temperature. Purification of the resulting compound by silica gel column chromatography to give a yellow solid compound (2-18) 0.208 g (yield: 32%) was obtained.

Reference： [1]Patent: KR2016/38310,2016,A .Location in patent: Paragraph 0167-0170

11
C₃₇H₂₂N₂ [ No CAS ]
[ 106047-28-3 ]
C₄₇H₂₈N₄ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
55%	With tri-tert-butyl phosphine; sodium t-butanolate; In 5,5-dimethyl-1,3-cyclohexadiene; toluene;Inert atmosphere; Reflux;	Pitching intermediate (5) in 100 mL flask 0.3 g (0.607mmol), <strong>[106047-28-3]6-bromo-2,3'-bipyridin</strong> (<strong>[106047-28-3]<strong>[106047-28-3]6-bromo-2,3'-bipyridin</strong>e</strong>), 0.171 g (0.728mmol), tri-tert-butylphosphine (tri-tert-butylphosphine) 12 mg (0.031mmol, 50% solution in xylene), sodium tert-butoxide (sodium tert-butoxide) 0.117 g (1.22 mmol) and Pd(dba)2 7 mg (0.0122 put mmol) was stirred under reflux by addition of toluene (toluene) 6 mL under a nitrogen atmosphere. After completion of the reaction, the reaction was cooled to room temperature and concentrated under reduced pressure. Purification of the resulting compound by silica gel column chromatography to give a solid compound (2-10) 0.215 g (yield: 55%) was obtained.

Reference： [1]Patent: KR2016/38310,2016,A .Location in patent: Paragraph 0135-0138

12
C₃₂H₂₀N₄O [ No CAS ]
[ 106047-28-3 ]
C₄₂H₂₆N₆O [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
73%	With copper; potassium carbonate; sodium sulfate; In nitrobenzene; at 200℃; for 12h;Inert atmosphere;	Under a stream of nitrogen compound DCO-1 (4.00 g, 10.00 mmol), Iodobenzene (6.12 g, 30.00 mmol), Cu powder (0.12g, 2.00 mmol), K2CO3 (5.52 g, 40.00 mmol), Na2SO4 (5.68 g, 40.00 mixing mmol) and nitrobenzene (50 ml) and stirred for 12 hours at 200 C.After completion of the reaction remove nitrobenzene and the organic layer was separated with methylene chloride and then the water was removed using MgSO4.The solvent of the organic layer was purified by column chromatography to give the title compound, C57 (4.31 g, yield 78%). Iodobenzene place of 6-bromo-2, 3'-bipyridine (7.05 g, 30.00 mmol), and the use of the negative is the same procedure as Synthesis Example 1 to perform the desired compound of C61 (5.17 g, yield 73%) was obtained. DCO-1 was obtained instead of the DCO-3 (4.68 g, 10.00 mmol) and except for the use and by performing the same procedure as in Synthesis Example 3, the desired compound of C141 (4.60 g, yield 73%).

Reference： [1]Patent: KR101556823,2015,B1 .Location in patent: Paragraph 0289; 0327; 0328; 0329

13
C₂₆H₁₆N₄O [ No CAS ]
[ 106047-28-3 ]
C₄₆H₂₈N₈O [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
73%	With copper; potassium carbonate; sodium sulfate; In nitrobenzene; at 200℃; for 12h;Inert atmosphere;	Under a stream of nitrogen compound DCO-1 (4.00 g, 10.00 mmol), Iodobenzene (6.12 g, 30.00 mmol), Cu powder (0.12g, 2.00 mmol), K2CO3 (5.52 g, 40.00 mmol), Na2SO4 (5.68 g, 40.00 mixing mmol) and nitrobenzene (50 ml) and stirred for 12 hours at 200 C.After completion of the reaction remove nitrobenzene and the organic layer was separated with methylene chloride and then the water was removed using MgSO4.The solvent of the organic layer was purified by column chromatography to give the title compound, C57 (4.31 g, yield 78%). Iodobenzene place of 6-bromo-2, 3'-bipyridine (7.05 g, 30.00 mmol), and the use of the negative is the same procedure as Synthesis Example 1 to perform the desired compound of C61 (5.17 g, yield 73%) was obtained.

Reference： [1]Patent: KR101556823,2015,B1 .Location in patent: Paragraph 0281; 0287; 0288; 0289

14
C₂₈H₁₈N₂ [ No CAS ]
[ 106047-28-3 ]
C₃₈H₂₄N₄ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
65%	With copper; potassium carbonate; In nitrobenzene; at 190℃; for 12h;Inert atmosphere;	Under a nitrogen flow Core1 (3.0g, 7.84mmol), <strong>[106047-28-3]<strong>[106047-28-3]6-bromo-2,3'-bipyridin</strong>e</strong> (2.21g, 9.41mmol), Cu powder (0.25g, 3.92mmol), K2CO3 (1.62g, 11.76mmol) and nitrobenzene the mixture (80ml) and stirred for 12 hours at 190 . the nitrobenzene was removed after the completion of the reaction, and the organic layer was separated with methylene chloride and then the water was removed using MgSO4. The solvent of the organic layer was purified by column chromatography to give the title compound Inv 73 (2.73 g, 65% yield).

Reference： [1]Patent: KR101603389,2016,B1 .Location in patent: Paragraph 0207-0209

15
2-([1,1'-biphenyl]-3-yl)-9-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole [ No CAS ]
[ 106047-28-3 ]
2-([1,1'-biphenyl]-3-yl)-7-([2,3'-bipyridine]-6-yl)-9-phenyl-9H-carbazole [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
1.6 g	With potassium phosphate; tetrakis(triphenylphosphine) palladium(0); In N,N-dimethyl acetamide; for 5h;Reflux;	Obtained as described above 2-([1,1'-biphenyl]-3-yl)-9-phenyl-7-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-9H-carbazole (2.1g), <strong>[106047-28-3]<strong>[106047-28-3]6-bromo-2,3'-bipyridin</strong>e</strong> (1.0g), tripotassium phosphate (1.7g), Pd(PPh3)4 (0.2g ) and the flask containing N,N-dimethylacetamide (16 ml) this mixture was stirred for 5 hours at reflux temperature. The reaction mixture chamber Cooling to temperature, it was collected solid precipitated by adding water by suction filtration. The resulting solid was washed with water, then with methanol, and dissolved in heated toluene to remove insolubles by hot filtration. Further purified by silica gel chromatography (toluene / ethyl acetate mixed solvent), a compound represented by the formula (1-4-155) 2-([1,1'-biphenyl]-3-yl)-7-([2,3'-bipyridine]-6-yl)-9-phenyl-9H-carbazole (1.6g) was obtained.

Reference： [1]Patent: JP5949354,2016,B2 .Location in patent: Paragraph 0364; 0366

16
C₃₄H₃₇B₂NO₄ [ No CAS ]
[ 106047-28-3 ]
5,9-di([2,3'-bipyridine]-6-yl)-7-phenyl-7H-benzo[c]carbazole [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
1.9 g	With potassium phosphate; tetrakis(triphenylphosphine) palladium(0); at 120℃; for 5h;Inert atmosphere;	The pseudo cumene (1,2,4-trimethyl benzene) (50ml), 7- phenyl -7H- benzo [c] carbazole-5,9-diboronic acid ester (5.1g) and 6-bromo-2,3 ' - bipyridineTo a solution was added (4.6g), under a nitrogen atmosphere, Pd and (PPh3) 4 (0.5g) and tripotassium phosphate (12 g) was added with stirring at room temperature. After stirring for 5 hours at 120. C., the reaction mixture was cooled to room temperature, methanol was added, the solid in the liquid was collected by suction filtration. This solid ethylenediaminetetraacetic acid (EDTA) solution, then water, further washed with methanol. Further, recrystallized from chlorobenzene, a compound represented by formula (1-20) 5,9-di ([2,3'-bipyridine] -6-yl) -7-phenyl -7H- benzo [ c] to give a carbazole (4.5g).

Reference： [1]Patent: JP5673362,2015,B2 .Location in patent: Paragraph 1096; 1097

17
9-(naphthalen-2-yl)-7-phenyl-7H-benzo[c]carbazol-5-yl trifluoromethanesulfonate [ No CAS ]
[ 106047-28-3 ]
C₄₂H₂₇N₃ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
0.8 g	With potassium phosphate; bis(dibenzylideneacetone)-palladium(0); tricyclohexylphosphine; for 4h;Reflux;	9- (naphthalen-2-yl) -7-phenyl-5 (4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-7H-benzo [c] carbazole (3 .0g), 6- bromo-2,3'-bipyridine (1.6 g), bis (dibenzylideneacetone) palladium (0) (0.5 g), tricyclohexylphosphine (0.5 g), tripotassium phosphate ( K3PO4) (8.8g) and 1,2,4-trimethyl benzene (pseudoCumene) (it was stirred for 4 hours the flask containing 18 ml) at reflux temperature. The reaction mixture was added was cooled to room temperature water was collected precipitated solid by suction filtration. The resulting solid washed with water and then with methanol, after further heating washing with heptane, active alumina column chromatography was purified (eluent toluene / ethyl acetate mixed solvent). At this time, gradually increasing the ratio of ethyl acetate in developing solution to elute the desired product. The solvent was evaporated under reduced pressure, and the resulting solidWas heated and dissolved in chlorobenzene, subjected to re-precipitation by addition of heptane, a compound represented by the formula (1-212), 5 - ((2,3'-bipyridine) 6-yl) -9- was obtained (naphthalen-2-yl) -7-phenyl -7H- benzo [c] carbazole (0.8 g).

Reference： [1]Patent: JP5673362,2015,B2 .Location in patent: Paragraph 1044; 1045

18
C₃₁H₂₁N₃ [ No CAS ]
[ 106047-28-3 ]
C₂₉H₁₉N₅ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
60%	With copper; potassium carbonate; sodium sulfate; In nitrobenzene; at 190℃; for 12h;Inert atmosphere;	And the IC-1, in place of iodobenzene, and IC-2 is a compound prepared in Preparation Example 2, but using <strong>[106047-28-3]<strong>[106047-28-3]6-bromo-2,3'-bipyridin</strong>e</strong>, in the same manner as in Synthesis Example 1 above on to give Inv-5 of 5 the target compound (4.63 g, 60% yield).

Reference： [1]Patent: JP2015/531758,2015,A .Location in patent: Paragraph 0109; 0113

19
C₂₈H₂₀N₂O [ No CAS ]
[ 106047-28-3 ]
C₃₈H₂₆N₄O [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
53%	With copper; potassium carbonate; sodium sulfate; In nitrobenzene; at 200℃; for 24h;Inert atmosphere;	Under a stream of nitrogen IC-1 (5 g, 12.49 mmol), 6-bromo-2, 3'-bipyridine (4.40 g, 18.73 mmol), Cu powder (0.08 g, 1.25 mmol), K 2 CO 3 (1.73 g,mmol 12.49), Na2SO4were mixed (1.77 g, 12.49 mmol), nitrobenzene (100 ml) and stirred at 200 for 24 hours.After completion of the reaction remove nitrobenzene and the organic layer was separated with methylene chloride and MgSO4Using the water was removed.After removing the solvent in water is removed, the organic layer was purified by column chromatography (Hexane: EA = 3: 1 (v / v)) to obtain the aimed compound Inv-13 (3.67 g, yield 53%).

Reference： [1]Patent: KR101599597,2016,B1 .Location in patent: Paragraph 0330-0333

20
[ 27825-35-0 ]
[ 106047-28-3 ]
C₃₄H₂₂N₄ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
59%	With tris-(dibenzylideneacetone)dipalladium(0); tri-tert-butyl phosphine; sodium t-butanolate; In toluene; at 175℃; for 24h;Inert atmosphere;	General procedure: Intermediate products (C),The substituent compound (A-x, x is a halogen element), Na (t-Bu) and Pd2 (dba) 3 were suspended in toluene, and P (t-Bu) 3 was added thereto and stirred under reflux for 24 hours under a stream of nitrogen.The mixture was then extracted with dichloromethane and distilled water, and the organic layer was subjected to silica gel filtration.Subsequently, the organic solution was removed, and the residue was subjected to silica gel column chromatography with hexane: dichloromethane (1: 1 v / v), followed by recrystallization from dichloromethane and ethyl acetate to obtain an organic compound.

Reference： [1]Patent: KR101676416,2016,B1 .Location in patent: Paragraph 0148-0152

21
N-(3-amino-4-methylphenyl)-4-((4-methylpiperazin-1-yl)methyl)benzamide [ No CAS ]
[ 106047-28-3 ]
N-(3-([2,3'-bipyridin]-6-ylamino)-4-methylphenyl)-4-((4-methylpiperazin-1-yl)methyl)benzamide [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2019,vol. 62,p. 3122 - 3134

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H412	Harmful to aquatic life with long-lasting effects
H413	May cause long-lasting harmful effects to aquatic life
H420	Harms public health and the environment by destroying ozone in the upper atmosphere

[ CAS No. 106047-28-3 ] {[proInfo.proName]}

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[ 106047-28-3 ] Synthesis Path-Upstream 1~4

[ 106047-28-3 ] Synthesis Path-Downstream 1~21

Related Functional Groups of [ 106047-28-3 ]

Bromides

Related Parent Nucleus of [ 106047-28-3 ]

Pyridines

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[ 106047-28-3 ]

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[ 106047-28-3 ]