[ CAS No. 351422-72-5 ] {[proInfo.proName]}

Name: 351422-72-5|(3-(Pyridin-3-yl)phenyl)boronic acid|98%
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Quality Control of [ 351422-72-5 ]

COA NMR CNMR HPLC LC-MS

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SDS Specification

Alternatived Products of [ 351422-72-5 ]

Product Details of [ 351422-72-5 ]

CAS No. :	351422-72-5	MDL No. :	MFCD16658918
Formula :	C₁₁H₁₀BNO₂	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	SSVQXHWHJJERAP-UHFFFAOYSA-N
M.W :	199.01	Pubchem ID :	58526507
Synonyms :

Calculated chemistry of [ 351422-72-5 ]

Physicochemical Properties

Num. heavy atoms :	15
Num. arom. heavy atoms :	12
Fraction Csp3 :	0.0
Num. rotatable bonds :	2
Num. H-bond acceptors :	3.0
Num. H-bond donors :	2.0
Molar Refractivity :	59.5
TPSA :	53.35 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	No
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-6.53 cm/s

Lipophilicity

Log Po/w (iLOGP) :	0.0
Log Po/w (XLOGP3) :	1.38
Log Po/w (WLOGP) :	0.43
Log Po/w (MLOGP) :	0.32
Log Po/w (SILICOS-IT) :	0.36
Consensus Log Po/w :	0.5

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	0.0
Egan :	0.0
Muegge :	1.0
Bioavailability Score :	0.55

Water Solubility

Log S (ESOL) :	-2.4
Solubility :	0.786 mg/ml ; 0.00395 mol/l
Class :	Soluble
Log S (Ali) :	-2.1
Solubility :	1.57 mg/ml ; 0.00788 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-3.44
Solubility :	0.0728 mg/ml ; 0.000366 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	1.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	2.13

Safety of [ 351422-72-5 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261-P305+P351+P338	UN#:	N/A
Hazard Statements:	H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 351422-72-5 ]

* 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.

Downstream synthetic route of [ 351422-72-5 ]

[ 351422-72-5 ] Synthesis Path-Downstream 1~23

1
2-amino-5-(3-bromophenyl)-3-methyl-5-(pyridin-4-yl)-3,5-dihydro-4H-imidazol-4-one [ No CAS ]
[ 351422-72-5 ]
2-amino-3-methyl-5-pyridin-4-yl-5-(3-pyridin-3-ylphenyl)-3,5-dihydro-4H-imidazol-4-one [ No CAS ]

Reference： [1]Bioorganic and Medicinal Chemistry Letters,2010,vol. 20,p. 2326 - 2329

2
[ 351422-72-5 ]
[ 1228585-19-0 ]
[ 1228585-32-7 ]

Yield	Reaction Conditions	Operation in experiment
99%	With sodium hydroxide;tri-tert-butyl phosphine; palladium diacetate; In tetrahydrofuran; water; toluene; for 19h;Reflux; Inert atmosphere;	In a stream of argon, 3- (3-pyridyl)phenylboronic acid (1.04 g), 2,4-bis(5-bromobiphenyl-3-yl)-6-phenyl-1,3,5-triazine (1.24 g), palladium acetate (9.0 mg) and a toluene solution (120 muL) of tri-tert-butylphosphine (1 mol/L) were suspended in tetrahydrofuran (50 mL). An aqueous solution (2.0 mL) of sodium hydroxide (4 mol/L) was dropwise added to the suspension over a period of 5 minutes. Then suspension was refluxed for 19 hours. The reaction mixture was left to stand at room temperature, and then low-boiling ingredients were distilled away under a reduced pressure. Methanol was added to the obtained solid. The solid precipitate was recovered by filtration. Thus, 1.52 g of the target 6-phenyl-2,4-bis[3-(3-pyridyl)-1,1':3',1"-terphenyl-5'-yl]-1,3,5-triazine as a white powder (yield: 99%). 1H-NMR(CDCl3) :delta7.29-7.49 (m, 4H) 7.54 (t, J=7.4Hz, 4H) 7.60-7.68(m,7H),7.80-7.84(m,6H),7.96(s,2H),8.03(d,J=7.9Hz,2H),8.07 (s,2H),8.67(d,J=4.7Hz,2H),8.81(d,J=7.7Hz,2H),8.99(s,2H),9.02 (s,4H). 13C-NMR(CDCl3) :delta124.0,125.8,126. 6,126.7,127.1,127 .5, 128.0,128.8,129.1,129.2,129.9,130.4,132.8,135.2,136.9,137.5, 138.4,140.6,141.9,141.9,142.5,147.9,148.2,171.7,171.9.

Reference： [1]Patent: EP2361909,2011,A1 .Location in patent: Page/Page column 26; 27

3
[ 351422-72-5 ]
[ 1268250-99-2 ]
[ 1268250-88-9 ]

Yield	Reaction Conditions	Operation in experiment
	With potassium carbonate;tetrakis(triphenylphosphine) palladium(0); In ethanol; toluene; at 60℃; for 18h;Inert atmosphere;	In a stream of argon, 0.71 g (3.21 mmol) of 9-phenanthreneboronic acid, 1.50 g (3.21 mmol) of 2-(3,5-dibromophenyl)-4,6-diphenyl-1,3,5-triazine and 37.0 mg (0.0321 mmol) of tetrakis(triphenylphosphine)palladium were suspended in a mixed solvent composed of 120 mL of toluene and 15 mL of ethanol, and the resultant suspension was heated to 60C. To the suspension, 9.63 mL (9.63 mmol) of an aqueous 1M K2CO3 solution was gradually added dropwise, and the mixture was stirred for 8 hours. Then the mixture was cooled to room temperature, and 0.59 g (4.82 mmol) of <strong>[351422-72-5]3-(3-pyridyl)phenylboronic acid</strong> and 9.63 mL (9.63 mmol) of an aqueous 1M K2CO3 solution were added. Then the mixture was heated to 60C and maintained at that temperature for 18 hours while being stirred. Then the reaction mixture was cooled to room temperature, and was then distilled under a reduced pressure to remove all volatile materials. Methanol was added to the concentrate, and the thus-deposited solid was collected by filtration. The obtained crude product was purified by silica gel chromatography using a hexane/chloroform (1:2) mixed solvent as an eluent to give 0.86 g of the target 4,6-diphenyl-2-[5-(9-phenanthryl)-3'-(3-pyridyl)biphenyl-3-yl]-1,3, 5-triazine as a white solid (yield: 42%). 1H-NMR(CDCl3):delta.7.57-7.66(m,7H),7.69-7.72(m,2H),7.44-7.81 (m,3H),7.81(dd,J=8.0,5.4Hz,1H),7.92(s,1H),8.02(t,J=7.80Hz,4H), 8.07(s,1H),8.46(d,J=8.1Hz,1H),8.72(d,J=5.3Hz,1H),8.81(d,J=7.0Hz, 4H),8.82(d,J=8.2Hz,1H),8.88(d,J=8.2Hz,1H),9.02(s,1H),9.06(s,1H), 9:14(s,1H). The obtained triazine derivative exhibited a Tg of 112C.

Reference： [1]Patent: EP2468731,2012,A1 .Location in patent: Page/Page column 49

4
[ 351422-72-5 ]
4-(3-bromophenyl)-1H-pyrazol-5-amine [ No CAS ]
4-(3-(pyridin-3-yl)phenyl)-1H-pyrazol-5-amine [ No CAS ]

Reference： [1]Journal of Medicinal Chemistry,2016,vol. 59,p. 3272 - 3302

5
[ 351422-72-5 ]
C₃₉H₂₄BrN₃ [ No CAS ]
C₅₀H₃₂N₄ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
62%	With tetrakis(triphenylphosphine) palladium(0); potassium carbonate; In tetrahydrofuran; water; at 80℃; for 5h;	Intermediate I-3 4.23 g (11.0 mmol), Intermediate I-4 3.49 g (10.0 mmol), Pd (PPh3) 4 0.06 g (0.5 mmol) and K2CO34.15 g (30.0 mmol) of THF/H2O (2/1 volume ratio) mixed solution and then dissolved in 40 mL, was stirred at 80 for 5 hours. after cooling to room temperature the reaction solution was added to 40 mL water and extracted three times with diethyl ether, 50 mL. The combined organic layers were dried over magnesium sulfate, and separation of the residue obtained by evaporation of the solvent by silica jelgwan chromatography to give the compound 4 4.33 g (yield 81%). The resulting compound was confirmed by LC-MS and 1H NMR.

Reference： [1]Patent: KR2015/39485,2015,A .Location in patent: Paragraph 0478; 0544; 0552-0555

6
[ 351422-72-5 ]
[ 586-78-7 ]
3-(4'-nitrobiphenyl-3-yl)pyridine [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
82%	With tetrakis(triphenylphosphine) palladium(0); potassium carbonate; In ethanol; water; toluene; for 14h;Inert atmosphere; Reflux;	50 g of 1-bromo-4-nitrobenzene 31.9 g of <strong>[351422-72-5]3-(pyridin-3-yl)-phenylboronic acid</strong> 2M aqueous potassium carbonate solution 309 ml200 ml of toluene40 ml of ethanolTo a solution of 11.0 g of tetrakistriphenylphosphine palladium (0)Were charged in a reaction vessel purged with nitrogen and heated to reflux with stirring for 14 hours.The reaction solution was concentrated, and the precipitated crystals were collected by filtration. Dispersed with isopropanol to obtain 3-(4'-nitrobiphenyl-3-yl)pyridine was obtained in a yield of 82.0%

Reference： [1]Patent: KR2015/123264,2015,A .Location in patent: Paragraph 0620-0633

7
[ 351422-72-5 ]
4-bromo-2-[{3'-(pyridin-3-yl)biphenyl-4-yl}azo]naphthyl-1-amine [ No CAS ]

Reference： [1]Patent: KR2015/123264,2015,A

8
[ 351422-72-5 ]
3-(4-{5-bromo-2H-naphtho[1,2-d][1,2,3]triazol-2-yl}phenyl)pyridine [ No CAS ]

Reference： [1]Patent: KR2015/123264,2015,A

9
[ 351422-72-5 ]
C₄₅H₃₀N₄ [ No CAS ]

Reference： [1]Patent: KR2015/123264,2015,A

10
[ 351422-72-5 ]
5-(4-phenylnaphthalen-1-yl)-2-{3'-(pyridin-3-yl)biphenyl-4-yl}-2H-naphtho [1,2-d][1,2,3] triazole [ No CAS ]

Reference： [1]Patent: KR2015/123264,2015,A

11
[ 1203585-46-9 ]
[ 351422-72-5 ]
2-bromo-4-phenyl-6-(3-(pyridin-3-yl)phenyl)-4H-dithieno[3,2-b:2',3'-d]pyrrole [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
68%	With tetrakis(triphenylphosphine) palladium(0); potassium carbonate; In toluene; at 110℃; for 8h;	Synthesis of Intermediate I-10 (0198) 5 g (12.10 mmol) of Intermediate 1-7, 2.89 g (14.52 mmol) of <strong>[351422-72-5](3-(pyridin-3-yl)phenyl)boronic acid</strong>, and 699 mg (0.61 mmol) of tetrakis(triphenylphosphine) palladium(0) were dissolved in 30 ml of 2M K2CO3(aq) and 50 ml of toluene, and then the mixture was stirred while refluxing at a temperature of 110 C. for 8 hours. When the reaction was completed, 40 ml of cold distilled water was added thereto, and the reaction solution was extracted by using ethyl acetate. The extraction product was dried by using magnesium sulfate and filtered and then, a solvent was removed therefrom by evaporation. Thereafter, 4.02 g (Yield: 68%) of Intermediate I-10 (2-bromo-4-phenyl-6-(3-(pyridin-3-yl)phenyl)-4H-dithieno[3,2-b:2?,3?-d]pyrrole) was obtained by column chromatography. EI-MS, m/e, 485.99 (calcd), 485.96 (found).

Reference： [1]Patent: US9437826,2016,B2 .Location in patent: Page/Page column 88; 89; 90

12
[ 351422-72-5 ]
C₃₅H₂₅Cl [ No CAS ]
C₄₆H₃₃N [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
72.2%	With dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane; palladium diacetate; potassium carbonate; In water; toluene; for 16h;Inert atmosphere; Reflux;	In a 100 mL three-necked flask, compound 11 (1.59 g, 3 mmol), 3- (3-pyridine) -phenylboronic acid (0.8 g, 4 mmol), K2CO3(0.7 g, 5 mmol), toluene (32 mL), deionized water (10 mL), N2(0.022 g, 0.1 mmol), phosphine ligand 2-dicyclohexylphosphino-2 ', 6'-dimethoxy-1,1'-biphenyl (0.082 g, 0.2 mmol) was added, The reaction was carried out for 16 hours, the reaction was quenched, cooled, dispensed, 50 mL of deionized water. The organic phase was taken off and the solvent was removed. The crude product was purified by silica gel column chromatography using n-hexane: dichloromethane = 5: 1 (V / V) to obtain the crude product of target C31, which was further sublimed and purified by chemical vapor deposition system. The sublimation temperature was 365 to obtain 1.3 g of target C31 in 72.2% yield.

Reference： [1]Patent: CN105441067,2017,B .Location in patent: Paragraph 0109-0111

13
[ 351422-72-5 ]
4-biphenyl-4-yl-6-(3-bromophenyl)-2-pyridin-3-yl-pyrimidine [ No CAS ]
C₃₈H₂₆N₄ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
75%	With tetrakis(triphenylphosphine) palladium(0); potassium carbonate; In ethanol; water; toluene; at 80℃; for 16h;	A solution of 4-biphenyl-4-yl-6- (3-bromophenyl) -2-pyridin-3-yl-pyrimidine 3-yl-pyrimidine) (10 g, 21.5 mmol) and 3- (3-pyridyl) phenylboronic acid (3- (3-Pyridyl) phenylboronic acid) (5.14 g, 25.8 mmol)Then, 100 ml of toluene was added, and K2CO3 (4.46 g, 32.3 mmol) was dissolved in 40 ml of deionized water and added to the reaction flask. Pd (PPh3) 4 (0.371 g, 0.3 mmol) was added followed by 20 ml of alcohol, The reaction was refluxed at 80 C for 16 hours. After the reaction, 150 ml of deionized water was added and the mixture was stirred to room temperature. The solid was filtered off and washed with deionized water and acetone. The solid was further stirred for 30 minutes in a mixed solution of 200 ml of deionized water, 50 ml of methanol and 50 ml of acetone , Then filter, repeat 2 times. The solid was dried and dissolved in 1000 ml of toluene. After passing through a silica gel column, the mixture was concentrated by distillation and added with 300 ml of methanol. The mixture was stirred for 30 minutes and dried to give Compound 12-4 (8.7 g, 75.0%) as a white solid.

Reference： [1]Patent: TWI582081,2017,B .Location in patent: Page/Page column 66; 67

14
[ 351422-72-5 ]
4-biphenyl-4-yl-6-(4-bromophenyl)-2-pyridin-3-yl-pyrimidine [ No CAS ]
C₃₈H₂₆N₄ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
40.5%	With tetrakis(triphenylphosphine) palladium(0); potassium carbonate; In ethanol; water; toluene; at 80℃; for 16h;	(4-Biphenyl-4-yl-6- (4-bromophenyl) -2-pyridin-4-yl-pyrimidin- 3-yl-pyrimidine) (10 g, 21.5 mmol) and 3- (3-pyridyl) phenylboronic acid (3- (3-Pyridyl) phenylboronic acid) (5.14 g, 25.8 mmol)Then add 100 ml of toluene,K2CO3 (4.46 g, 32.3 mmol) was dissolved in 40 ml of deionized water and added to the reaction flask. Pd (PPh3) 4 (0.371 g, 0.3 mmol)Then add alcohol 20 ml, stir and reflux at 80 C for 16 hours. After completion of the reaction, 150 ml of deionized water was added and the mixture was stirred to room temperature. The solid was filtered off and washed with deionized water with acetone. The solid was further stirred for 30 minutes in a mixed solution of 200 ml of deionized water, 50 ml of methanol and 50 ml of acetone , Then filter, repeat 2 times. The solid was dried and dissolved in 1000 ml of toluene. The mixture was concentrated on a silica gel column and concentrated by adding 300 ml of methanol. The mixture was filtered and dried to obtain Compound 1-4 (4.7 g, yield: 40.5%) as a white solid.

Reference： [1]Patent: TWI582081,2017,B .Location in patent: Page/Page column 60; 61

15
[ 351422-72-5 ]
3-bromo-11,12-dihydroindolo[2,3-a]carbazole [ No CAS ]
C₄₀H₂₆N₄ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With tetrakis(triphenylphosphine) palladium(0); sodium carbonate; In ethanol; water; toluene; for 16h;Inert atmosphere; Reflux;	In a stirred 500 ml three-necked flask, Intermediate M4 (16.8 g, 0.05 mol), 4-biphenylboronic acid (11.9 g, 0.06 mol)Pd (PPh3) 4 (1.2 g, 1 mmol), anhydrous sodium carbonate (10.6 g, 0.1 mol), toluene (100 ml), ethanol (60 ml) and water (100 ml).Under the protection of nitrogen, the reaction mixture is mechanically uniform, heating is started and the temperature is raised to reflux.Reflux reaction 16 hours, the reaction is completed, stop the reaction, cooling.The reaction system was charged with 100 ml of ethyl acetate and the phases were separated. The aqueous phase was washed twice with 100 ml of ethyl acetate. The organic phases were combined, dried over anhydrous sodium sulfate and the solvent was then pumped to dryness. The residue was purified by column chromatography to give 18 g Intermediate M6 as a white solid in 88% yield.

Reference： [1]Patent: CN107312013,2017,A .Location in patent: Paragraph 0055; 0120; 0122

16
[ 351422-72-5 ]
C₄₀H₂₆BrN₅ [ No CAS ]
C₅₁H₃₄N₆ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
49.4%	With tetrakis(triphenylphosphine) palladium(0); potassium carbonate; In ethanol; water; toluene; at 80℃;	Compound C (10 g, 15.23 mmole) and <strong>[351422-72-5](3-(pyridin-3-yl)phenyl)boronic acid</strong> (3.18 g, 15.99 mmole) were placed in a reaction vessel, and toluene (120 ml) was added. K2CO3 (7.38 g, 53.3 mmole) was dissolved in 70 ml of deionized water and added to the reaction vessel. Tetrakis(triphenylphosphine)palladium (1.23 g, 0.76 mmole) and 30 ml of EtOH were added to start heating and stirring. Heated to 80 C antiIt should be all night. After the reaction, 300 ml of DI water was added, stirred for 30 minutes, allowed to stand for stratification, and extracted. The extracted filtrate was added to silica gel for chromatographic purification, concentrated to a thick concentration, and then added with 300 mL of hexane to strengthen the precipitate. Combine the filtered solids,Obtaining 5.5 g of milky white solid compound 1-7,The yield was 49.4%.
49.4%	With tetrakis(triphenylphosphine) palladium(0); potassium carbonate; In ethanol; water; toluene; at 80℃;	Compound C (10 g, 15.23 mmole)And (3- (pyridin-3-yl) phenyl) boronic acid (3.18 g, 15.99 mmole) in a reaction tank,Add 120ml of toluene.K2CO3 (7.38g, 53.3mmole) was dissolved in 70ml of deionized water and added to the reaction tank.Add tetrakis (triphenylphosphine) palladium (1.23g, 0.76mmole)And EtOH 30ml turn on heating and stirring.The reaction was heated to 80 C overnight.After the reaction, add 300ml DI water and stir for 30 minutes.Allow it to separate into layers and perform extraction. Add the filtrate after extraction to fill with silica gel and purify by chromatography.After concentrating to a thick layer, 300 mL of hexane was added to strengthen the precipitation.The organic layers were combined to filter the solids,5.5 g of milky white solid compound 1-7 are obtained,The yield was 49.4%.

Reference： [1]Patent: CN109081830,2018,A .Location in patent: Paragraph 0135-0139
[2]Patent: TWI672298,2019,B .Location in patent: Paragraph 0044

17
[ 351422-72-5 ]
C₃₀H₁₉BrN₄ [ No CAS ]
C₄₁H₂₇N₅ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
Ca. 4.3 g	With tetrakis(triphenylphosphine) palladium(0); potassium carbonate; In ethanol; water; toluene; at 80℃;	Reaction C (10 g, 19.40 mmole) with <strong>[351422-72-5]3-(3-pyridyl)benzeneboronic acid</strong> ((3-(pyridin-3-yl))Phenyl)boronic acid) (4.633 g, 23.28 mmole) was placed in the reaction tank.Add 120 ml of toluene.Potassium carbonate (9.384 g, 67.9 mmole)Dissolved in 70 ml of deionized water and added to the reaction tank.Add tetrakis(triphenylphosphine)palladium (Pd(PPh3)4) (1.12 g, 0.97 mmole)And 30 ml of ethanol to turn on heating and stirring.Heat to 80 C and react overnight.After the reaction is completed,Add 300 ml of deionized water,After stirring for 30 minutes, the stirring was stopped and allowed to stand for stratification.Filtering,Received crude,Chromatography purification using silica gel using a Soxhlet extractor.Concentrate to a thick state and add 300 ml of hexane to strengthen the precipitation.The organic layer is combined with a filtered solid.The milky white solid compound 1-6 (about 4.3 g) was obtained.

Reference： [1]Patent: CN109942548,2019,A .Location in patent: Paragraph 0116-0120

18
[ 121-43-7 ]
[ 7732-18-5 ]
[ 4422-32-6 ]
[ 351422-72-5 ]

Yield	Reaction Conditions	Operation in experiment
51.5%		<1-h> was synthesized according to Scheme 8 below. In a 5000 mL round bottom flask 240.0 g (1.030 mol) of <1-g> obtained in Scheme 7 was dissolved in 1920 mL of tetrahydrofuran, stirred for 30 minutes under nitrogen, and the reaction temperature was lowered to minus 78 C and add normal butyllithium in 1.6 M hexane solution 772.6 mL (1.236 mol) dropwise for 1 hour. After stirring for 2 hours at the same temperature, 172.28 mL (1.545 mol) of trimethylborate is slowly added dropwise.After completion of dropwise addition, the mixture is stirred at room temperature for 12 hours or more.After completion of the reaction, 1000 mL of 2 N hydrochloric acid solution was added thereto, stirred for 30 minutes, and the organic layer and the water layer were separated by layer separation. The organic layer was washed with 1000 mL of water, and the organic layer was concentrated under reduced pressure. After removing all organic layers, 500 mL of methylene chloride, 500 mL of ethyl acetate, and 1000 mL of hexane were added to precipitate crystals, which were then filtered. 105.6 g (yield 51.5%) of were obtained.

Reference： [1]Patent: KR102013399,2019,B1 .Location in patent: Paragraph 0169; 0213-0218

19
[ 591-18-4 ]
[ 351422-72-5 ]

Reference： [1]Patent: KR102013399,2019,B1

20
[ 26032-72-4 ]
[ 351422-72-5 ]
2-Chloro-4-phenyl-6-{3-(pyridin-3-yl)phenyl}pyrimidine [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
57.5%	With tetrakis(triphenylphosphine) palladium(0); potassium carbonate; In ethanol; water; toluene; for 12h;Reflux;	<1-i> was synthesized by the following Scheme 9. In a 5000 mL round bottom flask, 100.6 g (0.506 mol) <1-f> from Scheme 6, 125.15 g (0.556 mol) <1-h> from Scheme 8, 209.60 g (1.517 mol) of potassium carbonate (K2CO3), 11.69 g (0.010 mmol) of tetrakistriphenylphosphinepalladium (Pd (PPh3) 4), 500 mL of water, 1000 mL of toluene and 500 mL of ethanol were added and refluxed for 12 hours. After the reaction was completed, the resulting product was separated into layers to remove the aqueous layer, and the organic layer was separated and concentrated under reduced pressure. Then, the precipitate was precipitated using methanol and filtered. 100 g (yield 57.5%) <1-i> was obtained.

Reference： [1]Patent: KR102013399,2019,B1 .Location in patent: Paragraph 0169; 0219-0224

21
[ 1692-25-7 ]
[ 351422-72-5 ]

Reference： [1]Patent: KR102013399,2019,B1

22
[ 351422-72-5 ]
C₃₆H₂₃ClN₂ [ No CAS ]
C₄₇H₃₁N₃ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
80.2%	With tetrakis(triphenylphosphine) palladium(0); potassium carbonate; In ethanol; water; toluene; for 12h;Reflux;	<Formula 210> was synthesized by the following Scheme 39. In a 300 mL round bottom flask, 14.2 g (0.027 mol) of <8-a> synthesized in Scheme 38, 6.5 g (0.033 mol) of <1-h> synthesized in Scheme 8, tetrakistriphenylphosphinepalladium (Pd ( PPh3) 4) 0.95 g (0.001 mol), potassium carbonate (K2CO3) 11.34 g (0.082 mol), 100 mL of toluene, 25 mL of ethanol and 41 mL of water were added to reflux for 12 hours. After the reaction was completed, the reaction solution was cooled to room temperature, the layers were separated, the aqueous layer was removed, the organic layer was separated, concentrated under reduced pressure, and then column chromatography was used.14 g (yield 80.2%) of <Formula 210> were obtained.

Reference： [1]Patent: KR102013399,2019,B1 .Location in patent: Paragraph 0420; 0427-0435

23
[ 351422-72-5 ]
C₄₆H₂₈BrN₃ [ No CAS ]
C₅₇H₃₆N₄ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
Ca. 5.5 g	With tetrakis(triphenylphosphine) palladium(0); potassium carbonate; In ethanol; water; toluene; at 80℃;	Compound B (10 g, 14.23 mmole) and (3- (pyridin-3-yl) phenyl) boronic acid (3.4 g, 14.9 mmole) were placed in a reaction tank, and 120 ml of toluene was added. K2CO3 (6.88 g, 49.8 mmole) was dissolved in 70 ml of deionized water and added to the reaction tank. Pd (PPh3) 4 (0.82 g, 0.71 mmole) and 30 ml of EtOH were added to start heating and stirring. The reaction was heated to 80 C overnight. After the reaction was completed, 300 ml of deionized water was added, and the mixture was stirred for 30 min. The layers were separated and subjected to extraction. The filtrate after the extraction was filled with silica gel and purified by chromatography. After concentrating to a thick layer, 300 ml of hexane was added to strengthen the precipitation. The organic layer The filtered solids were combined to give compound 1-12 (approximately 5.5 g) as a milky white solid.

Reference： [1]Patent: CN110746412,2020,A .Location in patent: Paragraph 0103-0107

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[ CAS No. 351422-72-5 ] {[proInfo.proName]}

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[ 351422-72-5 ] Synthesis Path-Downstream 1~23

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Organoboron

Aryls

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Pyridines

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[ 351422-72-5 ]