[ CAS No. 91182-50-2 ] {[proInfo.proName]}

Name: 91182-50-2|3-Bromo-2-phenylpyridine|97%
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Quality Control of [ 91182-50-2 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 91182-50-2 ]

SDS Specification

Alternatived Products of [ 91182-50-2 ]

Product Details of [ 91182-50-2 ]

CAS No. :	91182-50-2	MDL No. :	MFCD04114116
Formula :	C₁₁H₈BrN	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	QODMOFYNGFSWSQ-UHFFFAOYSA-N
M.W :	234.09	Pubchem ID :	2762792
Synonyms :

Calculated chemistry of [ 91182-50-2 ]

Physicochemical Properties

Num. heavy atoms :	13
Num. arom. heavy atoms :	12
Fraction Csp3 :	0.0
Num. rotatable bonds :	1
Num. H-bond acceptors :	1.0
Num. H-bond donors :	0.0
Molar Refractivity :	57.37
TPSA :	12.89 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	Yes
P-gp substrate :	No
CYP1A2 inhibitor :	Yes
CYP2C19 inhibitor :	Yes
CYP2C9 inhibitor :	No
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-5.45 cm/s

Lipophilicity

Log Po/w (iLOGP) :	2.41
Log Po/w (XLOGP3) :	3.21
Log Po/w (WLOGP) :	3.51
Log Po/w (MLOGP) :	2.82
Log Po/w (SILICOS-IT) :	3.7
Consensus Log Po/w :	3.13

Druglikeness

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

Water Solubility

Log S (ESOL) :	-3.93
Solubility :	0.0275 mg/ml ; 0.000117 mol/l
Class :	Soluble
Log S (Ali) :	-3.15
Solubility :	0.165 mg/ml ; 0.000703 mol/l
Class :	Soluble
Log S (SILICOS-IT) :	-5.4
Solubility :	0.00093 mg/ml ; 0.00000397 mol/l
Class :	Moderately soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	0.0 alert
Leadlikeness :	1.0
Synthetic accessibility :	1.85

Safety of [ 91182-50-2 ]

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 [ 91182-50-2 ]

* 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 [ 91182-50-2 ]
Downstream synthetic route of [ 91182-50-2 ]

[ 91182-50-2 ] Synthesis Path-Upstream 1~3

1
[ 13534-89-9 ]
[ 98-80-6 ]
[ 91182-50-2 ]

Yield	Reaction Conditions	Operation in experiment
95%	With palladium diacetate; potassium carbonate; triphenylphosphine In methanol; acetonitrile at 50℃; for 24 h; Inert atmosphere	General procedure: 2,5-dibromopyridine (0.12 g, 0.50 mmol), phenylboronic acid (67 mg, 0.55 mmol), K₂CO₃ (0.14 g, 1.0 mmol), Pd(OAc)₂ (11 mg, 5 mol percent), PPh₃ (26 mg, 10 mol percent) were dissolved in CH₃CN/CH₃OH (2:1, 6 mL). The solution was stirred at 50 °C under nitrogen atmosphere for 24 h and then cooled and the solid was filtered off. The filtrate was then concentrated and the resulting crude product was dissolved in CH₂Cl₂ (10 mL). The solution was washed with water (10 mL*3) and brine (10 mL), and dried over sodium sulfate. Upon removal of the solvent with a rotavapor, the resulting residue was subjected to column chromatography (petroleum ether/AcOEt, 400:1) to give the desired product 3a (114 mg, 97percent) as a white solid.
83%	With palladium diacetate; potassium carbonate; triphenylphosphine In methanol; acetonitrile at 50℃; for 24 h; Sealed tube; Inert atmosphere	General procedure: A mixture of MeCN and MeOH (2:1, 15 ml) wasadded to a mixture of 2,3-dibromopyridine (1) (474 mg,2.0 mmol), arylboronic acid (2.1 mmol), K2CO3 (560 mg,4.0 mmol), PPh3 (52 mg, 10 mol percent) and Pd(OAc)2 (23 mg,5 mol percent) in a screw-cap vial. Reaction mixture was flushedwith argon, sealed, and stirred at 50°C for 24 h in an oilbath. Then the reaction mixture was cooled to room temperature and filtered through Celite. Filtrate was concentratedunder reduced pressure, the residue was dissolved in CH2Cl2(20 ml), washed with water (3×10 ml) and dried overNa2SO4. Solvent was evaporated under reduced pressure,and the residue was purified by column chromatography on silica (hexane–EtOAc, 30:1) to provide pure pyridines 2a–j. 3-Bromo-2-phenylpyridine (2a).53 Yield 387 mg(83percent), colorless oil.

Reference： [1] Tetrahedron, 2013, vol. 69, # 51, p. 10996 - 11003
[2] Chemistry of Heterocyclic Compounds, 2017, vol. 53, # 10, p. 1103 - 1113[3] Khim. Geterotsikl. Soedin., 2017, vol. 53, # 10, p. 1103 - 1113,11
[4] Synlett, 2009, # 7, p. 1081 - 1086

2
[ 626-55-1 ]
[ 98-80-6 ]
[ 91182-50-2 ]
[ 88345-89-5 ]
[ 27012-25-5 ]

Reference： [1] Organic Letters, 2017, vol. 19, # 21, p. 5772 - 5775
[2] Chemical Communications, 2012, vol. 48, # 96, p. 11769 - 11771

3
[ 52200-48-3 ]
[ 5123-13-7 ]
[ 1008-89-5 ]
[ 91182-50-2 ]

Reference： [1] Organometallics, 2017, vol. 36, # 22, p. 4363 - 4366

[ 91182-50-2 ] Synthesis Path-Downstream 1~23

2
[ 91182-50-2 ]
[ 943994-02-3 ]
6-(2-phenylpyridin-3-yl)-2H-1,4-benzoxazin-3(4H)-one [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	With potassium phosphate; XPhos;tris-(dibenzylideneacetone)dipalladium(0); In water; N,N-dimethyl-formamide; at 100℃; for 48.0h;	A mixture of 3-bromo-2-phenylpyridine (0.17 g) , 6- (4,4,5, 5-tetramethyl-l, 3, 2-dioxaborolan-2-yl) -2H-1, 4- benzoxazin-3 (4H) -one (0.2 g) , tris (dibenzylideneacetone) dipalladium (0) (33.3 mg) , 2- dicyclohexylphosphino-2' , 4 ' , 6' -triisopropylbiphenyl (34.7 mg) and tripotassium phosphate (0.46 g) in water (1 ml) and DMF (5 ml) was heated at 100C for 48 hr. The solvent was removed under reduced pressure. The residue was dissolved <n="221"/>in EtOAc, and the solution was washed with aqueous NaHCO3 and water, dried and concentrated. Column chromatography on silica gel gave crystals. Recrystallization from EtOAc- hexane afforded the title compound as colorless crystals (26 mg) . mp. 176-178C.1H-NMR (300 MHz, CDCl3) delta: 4.62 (2H, s), 6.55 (IH, d, J = 2.4 Hz), 6.81 (IH, dd, J = 2.1, 8.4 Hz), 6.90 (IH, d, J = 8.1 Hz), 7.23 - 7.41 (6H, m) , 7.68 (IH, dd, J = 1.8, 7.8 Hz), 7.80 (IH, br) , 8.69 (IH, dd, J = 2,1, 5.1 Hz).

Reference： [1]Patent: WO2007/77961,2007,A2 .Location in patent: Page/Page column 219-220

3
[ 13534-89-9 ]
[ 98-80-6 ]
[ 91182-50-2 ]

Yield	Reaction Conditions	Operation in experiment
95%	With palladium diacetate; potassium carbonate; triphenylphosphine; In methanol; acetonitrile; at 50℃; for 24h;Inert atmosphere;	General procedure: 2,5-dibromopyridine (0.12 g, 0.50 mmol), phenylboronic acid (67 mg, 0.55 mmol), K2CO3 (0.14 g, 1.0 mmol), Pd(OAc)2 (11 mg, 5 mol %), PPh3 (26 mg, 10 mol %) were dissolved in CH3CN/CH3OH (2:1, 6 mL). The solution was stirred at 50 C under nitrogen atmosphere for 24 h and then cooled and the solid was filtered off. The filtrate was then concentrated and the resulting crude product was dissolved in CH2Cl2 (10 mL). The solution was washed with water (10 mL*3) and brine (10 mL), and dried over sodium sulfate. Upon removal of the solvent with a rotavapor, the resulting residue was subjected to column chromatography (petroleum ether/AcOEt, 400:1) to give the desired product 3a (114 mg, 97%) as a white solid.
83%	With palladium diacetate; potassium carbonate; triphenylphosphine; In methanol; acetonitrile; at 50℃; for 24h;Sealed tube; Inert atmosphere;	General procedure: A mixture of MeCN and MeOH (2:1, 15 ml) wasadded to a mixture of 2,3-dibromopyridine (1) (474 mg,2.0 mmol), arylboronic acid (2.1 mmol), K2CO3 (560 mg,4.0 mmol), PPh3 (52 mg, 10 mol %) and Pd(OAc)2 (23 mg,5 mol %) in a screw-cap vial. Reaction mixture was flushedwith argon, sealed, and stirred at 50C for 24 h in an oilbath. Then the reaction mixture was cooled to room temperature and filtered through Celite. Filtrate was concentratedunder reduced pressure, the residue was dissolved in CH2Cl2(20 ml), washed with water (3×10 ml) and dried overNa2SO4. Solvent was evaporated under reduced pressure,and the residue was purified by column chromatography on silica (hexane-EtOAc, 30:1) to provide pure pyridines 2a-j. 3-Bromo-2-phenylpyridine (2a).53 Yield 387 mg(83%), colorless oil.
	With tetrakis(triphenylphosphine) palladium(0); potassium carbonate; In methanol; acetonitrile; at 50℃; for 24h;Inert atmosphere;	Weigh molecular 1 (4.2 mmol, 1 g), phenylboronic acid (4.2 mmol, 515 mg), potassium carbonate (8.4 mmol, 1165 mg), tetrakis (triphenylphosphonium) palladium (0.2 mmol, 240 mg) on an analytical balance and add to In a 150 ml round-bottomed flask, evacuate and bubble nitrogen for three cycles. A mixed solution of acetonitrile and methanol (2: 1, v / v) was injected after 30 minutes of deoxygenation under a nitrogen atmosphere, stirred to dissolve, and then reacted at 50 C for 24 hours. After the reaction was completed, it was cooled to room temperature. Filtration gave a solid. PE: DCM = 10: 1 was used as eluent for column chromatography. The product was a yellow liquid.

Reference： [1]Tetrahedron,2013,vol. 69,p. 10996 - 11003
[2]Organic Letters,2019,vol. 21,p. 8611 - 8614
[3]Chemistry of Heterocyclic Compounds,2017,vol. 53,p. 1103 - 1113
Khim. Geterotsikl. Soedin.,2017,vol. 53,p. 1103 - 1113,11
[4]Synlett,2009,p. 1081 - 1086
[5]Organic Letters,2019,vol. 21,p. 9183 - 9187
[6]Patent: CN110330532,2019,A .Location in patent: Paragraph 0037-0039

4
[ 626-55-1 ]
[ 98-80-6 ]
[ 91182-50-2 ]
[ 88345-89-5 ]
[ 27012-25-5 ]

Reference： [1]Organic Letters,2017,vol. 19,p. 5772 - 5775
[2]Chemical Communications,2012,vol. 48,p. 11769 - 11771

5
[ 91182-50-2 ]
[(1,10-phenanthroline)₂Cu][OCH₂CF₃] [ No CAS ]
2-phenyl-3-(2,2,2-trifluoroethoxy)pyridine [ No CAS ]

Reference： [1]Angewandte Chemie - International Edition,2015,vol. 54,p. 5736 - 5739
    Angew. Chem.,2015,vol. 127,p. 5828 - 5831,4
    Angewandte Chemie,2015,vol. 127,p. 5828 - 5831,4
[2]Angewandte Chemie - International Edition,2015,vol. 54,p. 8022 - 8022
    Angew. Chem.,2015,vol. 54
[3]Synlett,2015,vol. 26,p. 2327 - 2331

6
[ 91182-50-2 ]
1,10-phenanthroline trifluoroacetic acid cuprous (I) [ No CAS ]
2-phenyl-3-(trifluoromethyl)pyridine [ No CAS ]

Reference： [1]Chemistry - A European Journal,2016,vol. 22,p. 2075 - 2084

7
[ 91182-50-2 ]
[ 865-50-9 ]
3-methyl-d3-2-phenylpyridine [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
2.3 g		<strong>[91182-50-2]3-bromo-2-phenyl pyridine</strong> (9.9 g, 42 mmol) was dissolved intetrahydrofuran of 100mL, and it was cooled to -78 . To this solution, BuLi (26.4 mL, in hexane1.6 M) was added dropwise.After completion of the addition, the reaction mixture was stirred 1 hour at-78 C. methyl -d3 iodide (9.3 g, 63 mmol) was added and allowed to warm to room temperature for 2 hours.The reaction then was quenched with water and extracted with ethyl acetate. Thecrude product was purified by column using hexane and ethyl acetate as eluent.Pure product 2.3g was obtained after purification.

Reference： [1]Patent: JP5832992,2015,B2 .Location in patent: Paragraph 0150; 0151

8
[ 52200-48-3 ]
[ 5123-13-7 ]
[ 1008-89-5 ]
[ 91182-50-2 ]

Reference： [1]Organometallics,2017,vol. 36,p. 4363 - 4366

9
[ 91182-50-2 ]
[ 485385-76-0 ]

Reference： [1]Chemistry of Heterocyclic Compounds,2017,vol. 53,p. 1103 - 1113
Khim. Geterotsikl. Soedin.,2017,vol. 53,p. 1103 - 1113,11

10
[ 91182-50-2 ]
[ 536-74-3 ]
[ 1398509-70-0 ]

Yield	Reaction Conditions	Operation in experiment
80%	With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine; In N,N-dimethyl acetamide; at 90℃; for 6h;Sealed tube; Inert atmosphere;	General procedure: DMA (5 ml) was added to a mixture of2-aryl-3-bromopyridine 2 (0.5 mmol), Pd(PPh3)2Cl2(17.6 mg, 5 ml %), and CuI (4.8 mg, 5 ml %) in a screwcap vial. Reaction mixture was flushed with argon,phenylacetylene (56 mg, 0.55 mml) and Et3N (0.2 ml,1.4 mmol) were added, the vial was sealed. The reactionmixture was stirred at 90C in an oil bath for 6 h. Then thereaction mixture was cooled to room temperature, pouredinto water (40 ml), and extracted with EtOAc (3×10 ml).The combined extracts were washed with water (2×5 ml)and dried over Na2SO4. Solvent was evaporated underreduced pressure, and the residue was purified by columnchromatography on silica (hexane-EtOAc, 20:1) to providepure pyridines 3a-j.2-Phenyl-3-(phenylethynyl)pyridine (3a). Yield 102 mg(80%), brown solid, mp 67-68C (mp 69C58).

Reference： [1]Chemistry of Heterocyclic Compounds,2017,vol. 53,p. 1103 - 1113
Khim. Geterotsikl. Soedin.,2017,vol. 53,p. 1103 - 1113,11

11
[ 91182-50-2 ]
[ 1066-54-2 ]
[ 485385-81-7 ]

Yield	Reaction Conditions	Operation in experiment
85%	With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; diisopropylamine; at 80℃; for 4h;Sealed tube; Inert atmosphere;	General procedure: Diisopropylamine (2.5 ml) was added to a mixture of 2-aryl-3-bromopyridine 2 (1.0 mmol), Pd(PPh3)2Cl2 (35 mg, 5 ml %), and CuI (9.6 mg, 5 ml %)in a screw-cap vial. Reaction mixture was flushed with argon, trimethylsilylacetylene (118 mg, 1.2 mml) was added, the vial was sealed. The reaction mixture was stirred at 80C in an oil bath for 4 h. Then the reaction mixture was cooled to room temperature, solvent was evaporated,and the residue was purified by column chromatography on silica (hexane-EtOAc, 20:1) to provide pure pyridines 4a,b,d-g,i,j. Pyridines 4c,h were used for the next step without isolation and purification. 2-Phenyl-3-(trimethylsilylethynyl)pyridine (4a). 59 Yield 213 mg (85%), pale-yellow oil.

Reference： [1]Chemistry of Heterocyclic Compounds,2017,vol. 53,p. 1103 - 1113
Khim. Geterotsikl. Soedin.,2017,vol. 53,p. 1103 - 1113,11

12
[ 91182-50-2 ]
4-chloro-1-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2(1H)-one [ No CAS ]
4-chloro-1-ethyl-6-(2-phenylpyridin-3-yl)quinolin-2(1H)-one [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
134 mg	With potassium phosphate; bis(di-tert-?butyl(4-?dimethylaminophenyl)?phosphine)?dichloropalladium(II); In 1,4-dioxane; water; at 100 - 110℃; for 1h;Inert atmosphere;	A mixture of 0.17 g of 4-chloro-1-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2(1H)-one, 0.11g of <strong>[91182-50-2]3-bromo-2-phenylpyridine</strong>, 0.20 g of tripotassium phosphate, 33 mg of bis(di-tert-butyl(4-dimethylaminophenyl)phosphine)dichloropalladium(II), 6 mL of dioxane and 2 mL of water was stirred under nitrogen atmosphere at the ambienttemperature of 100-110C for 1 hour. The reaction mixture was cooled to room temperature, and then ethyl acetate andwater were added. The organic layer was fractionated, and the aqueous layer was extracted with ethyl acetate. Theorganic layer was combined with the extract, washed with saturated sodium chloride aqueous solution, and then driedover anhydrous sodium sulfate, and the solvent was distilled off under reduced pressure. The obtained residue waspurified by silica gel chromatography [hexane:ethyl acetate gradient elution = 100:0 to 60:40] to obtain 134 mg of 4-chloro-1-ethyl-6-(2-phenylpyridin-3-yl)quinolin-2(1H)-one as a white foam.1H-NMR (CDCl3) delta: 1.33 (3H, t, J = 7.1 Hz), 4.31 (2H, q, J = 7.1 Hz), 6.89 (1H, s), 7.24-7.29 (3H, m), 7.32-7.42 (5H, m),7.81 (1H, dd, J = 7.6, 1.7 Hz), 7.94 (1H, d, J = 2.2 Hz), 8.74 (1H, dd, J = 4.8, 1.7 Hz).
134 mg	With potassium phosphate; bis(di-tert-?butyl(4-?dimethylaminophenyl)?phosphine)?dichloropalladium(II); In 1,4-dioxane; water; at 100 - 110℃; for 1h;Inert atmosphere;	A mixture of 0.17 g of 4-chloro-1-ethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)quinolin-2(1H)-one, 0.11 g of <strong>[91182-50-2]3-bromo-2-phenylpyridine</strong>, 0.20 g of tripotassium phosphate, 33 mg of bis(di-tert-butyl(4-dimethylaminophenyl)phosphine)dichloropalladium(II), 6 mL of dioxane and 2 mL of water was stirred under a nitrogen atmosphere at an external temperature of 100 C. to 110 C. for 1 hour. Thereafter, the reaction mixture was cooled to room temperature, and ethyl acetate and water were then added thereto. An organic layer was separated, and a water layer was then extracted with ethyl acetate. The organic layer was gathered with the extract, and the obtained mixture was then washed with a saturated sodium chloride aqueous solution and was then dried over anhydrous sodium sulfate. The solvent was distilled away under reduced pressure. The obtained residue was purified by silica gel chromatography [gradient elution of hexane:ethyl acetate=100:0-60:40], to obtain 134 mg of 4-chloro-1-ethyl-6-(2-phenylpyridin-3-yl)quinolin-2(1H)-one in the form of a white foam.1H-NMR (CDCl3) delta:1.33 (3H, t, J=7.1 Hz), 4.31 (2H, q, J=7.1 Hz), 6.89 (1H, s), 7.24-7.29 (3H, m), 7.32-7.42 (5H, m), 7.81 (1H, dd, J=7.6, 1.7 Hz), 7.94 (1H, d, J=2.2 Hz), 8.74 (1H, dd, J=4.8, 1.7 Hz).

Reference： [1]Patent: EP3327004,2018,A1 .Location in patent: Paragraph 0435; 0436
[2]Patent: US2019/314360,2019,A1 .Location in patent: Paragraph 0663-0665

13
[ 91182-50-2 ]
4-cyclopropyl-1-ethyl-6-(2-phenylpyridin-3-yl)quinolin-2(1H)-one [ No CAS ]

Reference： [1]Patent: EP3327004,2018,A1
[2]Patent: US2019/314360,2019,A1

14
[ 91182-50-2 ]
1-ethyl-4-(morpholin-4-yl)-6-(2-phenylpyridin-3-yl)quinolin-2(1H)-one [ No CAS ]

Reference： [1]Patent: EP3327004,2018,A1
[2]Patent: US2019/314360,2019,A1

15
[ 91182-50-2 ]
1-ethyl-4-methyl-6-(2-phenylpyridin-3-yl)quinolin-2(1H)-one [ No CAS ]

Reference： [1]Patent: EP3327004,2018,A1
[2]Patent: US2019/314360,2019,A1

16
[ 30683-23-9 ]
[ 71-43-2 ]
[ 91182-50-2 ]

Reference： [1]Organic Letters,2018,vol. 20,p. 7095 - 7099

17
[ 91182-50-2 ]
[ 23865-43-2 ]
4-methyl N-(2-(3-bromopyridin-2-yl)benzyl)benzenesulfonamide [ No CAS ]

Reference： [1]Organic Letters,2019,vol. 21,p. 3735 - 3740

18
[ 91182-50-2 ]
[ 23865-43-2 ]
C₁₉H₁₆N₂O₂S [ No CAS ]

Reference： [1]Organic Letters,2019,vol. 21,p. 3735 - 3740

19
[ 91182-50-2 ]
2-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2-cyclohexen-1-one [ No CAS ]
2-methyl-3-(2-phenylpyridin-3-yl)cyclohex-2-en-1-one [ No CAS ]

Reference： [1]Organic Letters,2019,vol. 21,p. 8611 - 8614

20
[ 91182-50-2 ]
iridium(III) chloride trihydrate [ No CAS ]
C₄₄H₂₈Br₄Cl₂Ir₂N₄ [ No CAS ]

Yield	Reaction Conditions	Operation in experiment
	In 2-ethoxy-ethanol; water; at 110℃; for 24h;Inert atmosphere;	Molecules 1 (2 mmol, 466 mg) and iridium trichloride trihydrate (1 mmol, 352 mg) were weighed into a round-bottomed flask, evacuated, and bubbling nitrogen, and circulated three times. Under a nitrogen atmosphere, 16 mL of a mixed solution of ethylene glycol ether and water (3: 1, v / v) was injected and dissolved by stirring. After reacting at 110 C for 24 hours, the crude product was cooled to room temperature, and filtered through a sand core funnel to obtain a solid, which was washed three times with deionized water and ethanol. The product is obtained after drying in a vacuum drying box.

Reference： [1]Patent: CN110330532,2019,A .Location in patent: Paragraph 0037; 0040-0041

21
[ 13331-23-2 ]
[ 91182-50-2 ]
3-(furan-2-yl)-2-phenylpyridine [ No CAS ]

Reference： [1]Organic Letters,2019,vol. 21,p. 9183 - 9187

22
[ 91182-50-2 ]
[ 162607-20-7 ]
3-(5-methylthiophen-2-yl)-2-phenylpyridine [ No CAS ]

Reference： [1]Organic Letters,2019,vol. 21,p. 9183 - 9187

23
[ 6165-68-0 ]
[ 91182-50-2 ]
2-phenyl-3-(thiophen-2-yl)pyridine [ No CAS ]

Reference： [1]Organic Letters,2019,vol. 21,p. 9183 - 9187

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Ghs Precautionary Statements

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Code	Phrase
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P103	Read label before use
Prevention
Code	Phrase
P201	Obtain special instructions before use.
P202	Do not handle until all safety precautions have been read and understood.
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P220	Keep/Store away from clothing/combustible materials.
P221	Take any precaution to avoid mixing with combustibles
P222	Do not allow contact with air.
P223	Keep away from any possible contact with water, because of violent reaction and possible flash fire.
P230	Keep wetted
P231	Handle under inert gas.
P232	Protect from moisture.
P233	Keep container tightly closed.
P234	Keep only in original container.
P235	Keep cool
P240	Ground/bond container and receiving equipment.
P241	Use explosion-proof electrical/ventilating/lighting/equipment.
P242	Use only non-sparking tools.
P243	Take precautionary measures against static discharge.
P244	Keep reduction valves free from grease and oil.
P250	Do not subject to grinding/shock/friction.
P251	Pressurized container: Do not pierce or burn, even after use.
P260	Do not breathe dust/fume/gas/mist/vapours/spray.
P261	Avoid breathing dust/fume/gas/mist/vapours/spray.
P262	Do not get in eyes, on skin, or on clothing.
P263	Avoid contact during pregnancy/while nursing.
P264	Wash hands thoroughly after handling.
P265	Wash skin thouroughly after handling.
P270	Do not eat, drink or smoke when using this product.
P271	Use only outdoors or in a well-ventilated area.
P272	Contaminated work clothing should not be allowed out of the workplace.
P273	Avoid release to the environment.
P280	Wear protective gloves/protective clothing/eye protection/face protection.
P281	Use personal protective equipment as required.
P282	Wear cold insulating gloves/face shield/eye protection.
P283	Wear fire/flame resistant/retardant clothing.
P284	Wear respiratory protection.
P285	In case of inadequate ventilation wear respiratory protection.
P231 + P232	Handle under inert gas. Protect from moisture.
P235 + P410	Keep cool. Protect from sunlight.
Response
Code	Phrase
P301	IF SWALLOWED:
P304	IF INHALED:
P305	IF IN EYES:
P306	IF ON CLOTHING:
P307	IF exposed:
P308	IF exposed or concerned:
P309	IF exposed or if you feel unwell:
P310	Immediately call a POISON CENTER or doctor/physician.
P311	Call a POISON CENTER or doctor/physician.
P312	Call a POISON CENTER or doctor/physician if you feel unwell.
P313	Get medical advice/attention.
P314	Get medical advice/attention if you feel unwell.
P315	Get immediate medical advice/attention.
P320
P302 + P352	IF ON SKIN: wash with plenty of soap and water.
P321
P322
P330	Rinse mouth.
P331	Do NOT induce vomiting.
P332	IF SKIN irritation occurs:
P333	If skin irritation or rash occurs:
P334	Immerse in cool water/wrap n wet bandages.
P335	Brush off loose particles from skin.
P336	Thaw frosted parts with lukewarm water. Do not rub affected area.
P337	If eye irritation persists:
P338	Remove contact lenses, if present and easy to do. Continue rinsing.
P340	Remove victim to fresh air and keep at rest in a position comfortable for breathing.
P341	If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P342	If experiencing respiratory symptoms:
P350	Gently wash with plenty of soap and water.
P351	Rinse cautiously with water for several minutes.
P352	Wash with plenty of soap and water.
P353	Rinse skin with water/shower.
P360	Rinse immediately contaminated clothing and skin with plenty of water before removing clothes.
P361	Remove/Take off immediately all contaminated clothing.
P362	Take off contaminated clothing and wash before reuse.
P363	Wash contaminated clothing before reuse.
P370	In case of fire:
P371	In case of major fire and large quantities:
P372	Explosion risk in case of fire.
P373	DO NOT fight fire when fire reaches explosives.
P374	Fight fire with normal precautions from a reasonable distance.
P376	Stop leak if safe to do so. Oxidising gases (section 2.4) 1
P377	Leaking gas fire: Do not extinguish, unless leak can be stopped safely.
P378
P380	Evacuate area.
P381	Eliminate all ignition sources if safe to do so.
P390	Absorb spillage to prevent material damage.
P391	Collect spillage. Hazardous to the aquatic environment
P301 + P310	IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician.
P301 + P312	IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.
P301 + P330 + P331	IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.
P302 + P334	IF ON SKIN: Immerse in cool water/wrap in wet bandages.
P302 + P350	IF ON SKIN: Gently wash with plenty of soap and water.
P303 + P361 + P353	IF ON SKIN (or hair): Remove/Take off Immediately all contaminated clothing. Rinse SKIN with water/shower.
P304 + P312	IF INHALED: Call a POISON CENTER or doctor/physician if you feel unwell.
P304 + P340	IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.
P304 + P341	IF INHALED: If breathing is difficult, remove victim to fresh air and keep at rest in a position comfortable for breathing.
P305 + P351 + P338	IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P306 + P360	IF ON CLOTHING: Rinse Immediately contaminated CLOTHING and SKIN with plenty of water before removing clothes.
P307 + P311	IF exposed: call a POISON CENTER or doctor/physician.
P308 + P313	IF exposed or concerned: Get medical advice/attention.
P309 + P311	IF exposed or if you feel unwell: call a POISON CENTER or doctor/physician.
P332 + P313	IF SKIN irritation occurs: Get medical advice/attention.
P333 + P313	IF SKIN irritation or rash occurs: Get medical advice/attention.
P335 + P334	Brush off loose particles from skin. Immerse in cool water/wrap in wet bandages.
P337 + P313	IF eye irritation persists: Get medical advice/attention.
P342 + P311	IF experiencing respiratory symptoms: call a POISON CENTER or doctor/physician.
P370 + P376	In case of fire: Stop leak if safe to Do so.
P370 + P378	In case of fire:
P370 + P380	In case of fire: Evacuate area.
P370 + P380 + P375	In case of fire: Evacuate area. Fight fire remotely due to the risk of explosion.
P371 + P380 + P375	In case of major fire and large quantities: Evacuate area. Fight fire remotely due to the risk of explosion.
Storage
Code	Phrase
P401
P402	Store in a dry place.
P403	Store in a well-ventilated place.
P404	Store in a closed container.
P405	Store locked up.
P406	Store in corrosive resistant/ container with a resistant inner liner.
P407	Maintain air gap between stacks/pallets.
P410	Protect from sunlight.
P411
P412	Do not expose to temperatures exceeding 50 oC/ 122 oF.
P413
P420	Store away from other materials.
P422
P402 + P404	Store in a dry place. Store in a closed container.
P403 + P233	Store in a well-ventilated place. Keep container tightly closed.
P403 + P235	Store in a well-ventilated place. Keep cool.
P410 + P403	Protect from sunlight. Store in a well-ventilated place.
P410 + P412	Protect from sunlight. Do not expose to temperatures exceeding 50 oC/122oF.
P411 + P235	Keep cool.
Disposal
Code	Phrase
P501	Dispose of contents/container to ...
P502	Refer to manufacturer/supplier for information on recovery/recycling

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Physical hazards
Code	Phrase
H200	Unstable explosive
H201	Explosive; mass explosion hazard
H202	Explosive; severe projection hazard
H203	Explosive; fire, blast or projection hazard
H204	Fire or projection hazard
H205	May mass explode in fire
H220	Extremely flammable gas
H221	Flammable gas
H222	Extremely flammable aerosol
H223	Flammable aerosol
H224	Extremely flammable liquid and vapour
H225	Highly flammable liquid and vapour
H226	Flammable liquid and vapour
H227	Combustible liquid
H228	Flammable solid
H229	Pressurized container: may burst if heated
H230	May react explosively even in the absence of air
H231	May react explosively even in the absence of air at elevated pressure and/or temperature
H240	Heating may cause an explosion
H241	Heating may cause a fire or explosion
H242	Heating may cause a fire
H250	Catches fire spontaneously if exposed to air
H251	Self-heating; may catch fire
H252	Self-heating in large quantities; may catch fire
H260	In contact with water releases flammable gases which may ignite spontaneously
H261	In contact with water releases flammable gas
H270	May cause or intensify fire; oxidizer
H271	May cause fire or explosion; strong oxidizer
H272	May intensify fire; oxidizer
H280	Contains gas under pressure; may explode if heated
H281	Contains refrigerated gas; may cause cryogenic burns or injury
H290	May be corrosive to metals
Health hazards
Code	Phrase
H300	Fatal if swallowed
H301	Toxic if swallowed
H302	Harmful if swallowed
H303	May be harmful if swallowed
H304	May be fatal if swallowed and enters airways
H305	May be harmful if swallowed and enters airways
H310	Fatal in contact with skin
H311	Toxic in contact with skin
H312	Harmful in contact with skin
H313	May be harmful in contact with skin
H314	Causes severe skin burns and eye damage
H315	Causes skin irritation
H316	Causes mild skin irritation
H317	May cause an allergic skin reaction
H318	Causes serious eye damage
H319	Causes serious eye irritation
H320	Causes eye irritation
H330	Fatal if inhaled
H331	Toxic if inhaled
H332	Harmful if inhaled
H333	May be harmful if inhaled
H334	May cause allergy or asthma symptoms or breathing difficulties if inhaled
H335	May cause respiratory irritation
H336	May cause drowsiness or dizziness
H340	May cause genetic defects
H341	Suspected of causing genetic defects
H350	May cause cancer
H351	Suspected of causing cancer
H360	May damage fertility or the unborn child
H361	Suspected of damaging fertility or the unborn child
H361d	Suspected of damaging the unborn child
H362	May cause harm to breast-fed children
H370	Causes damage to organs
H371	May cause damage to organs
H372	Causes damage to organs through prolonged or repeated exposure
H373	May cause damage to organs through prolonged or repeated exposure
Environmental hazards
Code	Phrase
H400	Very toxic to aquatic life
H401	Toxic to aquatic life
H402	Harmful to aquatic life
H410	Very toxic to aquatic life with long-lasting effects
H411	Toxic to aquatic life with long-lasting effects
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. 91182-50-2 ] {[proInfo.proName]}

Quality Control of [ 91182-50-2 ]

Related Doc. of [ 91182-50-2 ]

Product Details of [ 91182-50-2 ]

Calculated chemistry of [ 91182-50-2 ]

Physicochemical Properties

Pharmacokinetics

Lipophilicity

Druglikeness

Water Solubility

Medicinal Chemistry

Safety of [ 91182-50-2 ]

Application In Synthesis of [ 91182-50-2 ]

[ 91182-50-2 ] Synthesis Path-Upstream 1~3

[ 91182-50-2 ] Synthesis Path-Downstream 1~23

Related Functional Groups of [ 91182-50-2 ]

Aryls

Bromides

Related Parent Nucleus of [ 91182-50-2 ]

Pyridines

Precautionary Statements-General

Prevention

Response

Storage

Disposal

Physical hazards

Health hazards

Environmental hazards

Inquiry

Related Functional Groups of
[ 91182-50-2 ]

Related Parent Nucleus of
[ 91182-50-2 ]