2-(4-Bromo-phenyl)-4,6-diphenyl-[1,3,5]triazine supplier

Name
2-(3-Bromophenyl)-4,6-diphenyl-1,3,5-triazine
EINECS
CAS No. 864377-31-1
Article Data41
CAS DataBase
Density 1.381 g/cm³
Solubility
Melting Point 174.0 to 178.0 °C
Formula C₂₁H₁₄BrN₃
Boiling Point 573.9 °C at 760 mmHg
Molecular Weight 388.266
Flash Point 300.9 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 2-(4-Bromophenyl)-4,6-diphenyl-1,3,5-triazine;
PSA 38.67000
LogP 5.63510

Synthetic route

: 3842-55-5
2-chloro-4,6-diphenyl-1,3,5-triazine

: 89598-96-9
(3-bromophenyl)boronic acid

: 864377-31-1
2-(3-bromo-phenyl)-4,6-diphenyl-1,3,5-triazine

Conditions

Conditions	Yield
With tetrakis(triphenylphosphine) palladium(0); potassium carbonate In tetrahydrofuran; water at 80℃; for 12h; Inert atmosphere;	95%
With tetrakis(triphenylphosphine) palladium(0); potassium carbonate In tetrahydrofuran; water at 80℃; for 12h; Inert atmosphere;	95%
With tetrakis(triphenylphosphine) palladium(0); potassium carbonate In tetrahydrofuran; water at 80℃; for 12h; Inert atmosphere;	95%

: 15852-73-0
(3-Bromophenyl)methanol

: 618-39-3
benzamidin

: 864377-31-1
2-(3-bromo-phenyl)-4,6-diphenyl-1,3,5-triazine

Conditions

Conditions	Yield
With oxygen In toluene at 110℃; for 20h; Schlenk technique;	90%

: 1670-14-0
benzamidine monohydrochloride

: 932-77-4
3-bromobenzyl chloride

: 864377-31-1
2-(3-bromo-phenyl)-4,6-diphenyl-1,3,5-triazine

Conditions

Conditions	Yield
With sodium carbonate; sulfur In dimethyl sulfoxide at 130℃; for 24h;	90%
With sulfur; potassium hydroxide In dimethyl sulfoxide at 130℃; for 24h; Sealed tube;	88%

: 80984-79-8
2-bromo-4,6-diphenyl-1,3,5-triazabenzene

: 89598-96-9
(3-bromophenyl)boronic acid

: 864377-31-1
2-(3-bromo-phenyl)-4,6-diphenyl-1,3,5-triazine

Conditions

Conditions	Yield
With tetrakis(triphenylphosphine) palladium(0); potassium carbonate In ethanol; water; toluene at 90℃; for 5h; Inert atmosphere;	87.46%
Suzuki Coupling;
Suzuki Coupling;

: 591-18-4
1-Bromo-3-iodobenzene

: ((4,6-diphenyl-1,3,5-triazin-2-yl)boronic acid)

: 864377-31-1
2-(3-bromo-phenyl)-4,6-diphenyl-1,3,5-triazine

Conditions

Conditions	Yield
With tetrakis(triphenylphosphine) palladium(0); potassium carbonate In ethanol; water; toluene at 90℃; for 5h; Inert atmosphere;	83.1%

: 591-18-4
1-Bromo-3-iodobenzene

: 2,4-diphenyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolane-2-yl)-1,3,5-triazine

: 864377-31-1
2-(3-bromo-phenyl)-4,6-diphenyl-1,3,5-triazine

Conditions

Conditions	Yield
With tetrakis(triphenylphosphine) palladium(0); potassium carbonate In tetrahydrofuran; water for 10h; Suzuki Coupling; Inert atmosphere; Reflux;	83%

: 3132-99-8
m-bromobenzoic aldehyde

: 1670-14-0
benzamidine monohydrochloride

: 864377-31-1
2-(3-bromo-phenyl)-4,6-diphenyl-1,3,5-triazine

Conditions

Conditions	Yield
With nickel diacetate; sodium carbonate In toluene at 110℃; for 30h; Reagent/catalyst;	83%
With copper(II) acetate monohydrate; sodium carbonate In toluene at 100℃; for 24h;	68%
With sodium carbonate; copper(l) chloride at 90 - 100℃;	3.2 g

: 18467-14-6
N-(3-bromobenzylidene)-phenyl-amine

: 1670-14-0
benzamidine monohydrochloride

: 864377-31-1
2-(3-bromo-phenyl)-4,6-diphenyl-1,3,5-triazine

Conditions

Conditions	Yield
With sodium hydroxide In ethanol for 12h; Reflux;	74%
Stage #1: N-(3-bromobenzylidene)-phenyl-amine; benzamidine monohydrochloride With sodium hydroxide In ethanol at 80℃; for 16h; Inert atmosphere; Stage #2: With sodium t-butanolate In ethanol at 80℃; for 16h; Inert atmosphere;	37%
Stage #1: N-(3-bromobenzylidene)-phenyl-amine; benzamidine monohydrochloride With sodium hydroxide In ethanol at 80℃; for 16h; Inert atmosphere; Stage #2: With sodium t-butanolate In ethanol at 80℃; for 16h;	37%
Stage #1: N-(3-bromobenzylidene)-phenyl-amine; benzamidine monohydrochloride With sodium hydroxide In ethanol for 18h; Inert atmosphere; Reflux; Stage #2: With sodium t-butanolate In ethanol for 16h; Inert atmosphere; Reflux;	26.7%

: 1711-09-7
3-bromobenzoyl chloride

: 1670-14-0
benzamidine monohydrochloride

: 864377-31-1
2-(3-bromo-phenyl)-4,6-diphenyl-1,3,5-triazine

Conditions

Conditions	Yield
Stage #1: 3-bromobenzoyl chloride; benzamidine monohydrochloride With triethylamine In 5,5-dimethyl-1,3-cyclohexadiene at 0 - 60℃; for 3.5h; Inert atmosphere; Stage #2: With 1,1,3,3-tetramethyldisilazane In 5,5-dimethyl-1,3-cyclohexadiene at 150℃; for 5h; Inert atmosphere;	72%

: 3842-55-5
2-chloro-4,6-diphenyl-1,3,5-triazine

: 594823-67-3
(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)bromobenzene)

: 864377-31-1
2-(3-bromo-phenyl)-4,6-diphenyl-1,3,5-triazine

Conditions

Conditions	Yield
With tetrakis(triphenylphosphine) palladium(0); potassium carbonate In 1,4-dioxane for 5h; Inert atmosphere; Reflux;	72%

: 1711-09-7
3-bromobenzoyl chloride

: 100-47-0
benzonitrile

: 864377-31-1
2-(3-bromo-phenyl)-4,6-diphenyl-1,3,5-triazine

Conditions

Conditions	Yield
Stage #1: 3-bromobenzoyl chloride; benzonitrile In dichloromethane at 0 - 5℃; for 0.5h; Inert atmosphere; Cooling with ice; Stage #2: With antimonypentachloride In dichloromethane at 20℃; for 1h; Inert atmosphere; Stage #3: With ammonia In water at 0 - 20℃; for 3.5h; Cooling with ice;	66.7%
Stage #1: 3-bromobenzoyl chloride; benzonitrile With aluminum (III) chloride; thionyl chloride In 1,2-dichloro-benzene at 100℃; for 20h; Stage #2: With ammonium chloride In 1,2-dichloro-benzene at 100℃; for 3h;	40%

: 3132-99-8
m-bromobenzoic aldehyde

: benzimidamide hydrochloride

: 864377-31-1
2-(3-bromo-phenyl)-4,6-diphenyl-1,3,5-triazine

Conditions

Conditions	Yield
With sodium carbonate; copper dichloride In toluene at 130℃;	52%

: 108-36-1
1,3-dibromobenzene

: 3842-55-5
2-chloro-4,6-diphenyl-1,3,5-triazine

: 864377-31-1
2-(3-bromo-phenyl)-4,6-diphenyl-1,3,5-triazine

Conditions

Conditions	Yield
Stage #1: 1,3-dibromobenzene With n-butyllithium In tetrahydrofuran-d8 at -78℃; for 1h; Stage #2: 2-chloro-4,6-diphenyl-1,3,5-triazine In tetrahydrofuran at 20℃; for 5h;	40.4%
With n-butyllithium In tetrahydrofuran at -78 - 20℃; for 12h;	28%
Stage #1: 1,3-dibromobenzene With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 1h; Stage #2: 2-chloro-4,6-diphenyl-1,3,5-triazine In tetrahydrofuran; hexane at 20℃; for 3h;

: 591-18-4
1-Bromo-3-iodobenzene

: 3842-55-5
2-chloro-4,6-diphenyl-1,3,5-triazine

: 864377-31-1
2-(3-bromo-phenyl)-4,6-diphenyl-1,3,5-triazine

Conditions

Conditions	Yield
Stage #1: 1-Bromo-3-iodobenzene With n-butyllithium In tetrahydrofuran at -78℃; for 1.5h; Inert atmosphere; Stage #2: 2-chloro-4,6-diphenyl-1,3,5-triazine In tetrahydrofuran at 20℃; for 1.5h; Inert atmosphere;	30%
With n-butyllithium In tetrahydrofuran at -78℃; for 2h; Inert atmosphere;	30%
Stage #1: 1-Bromo-3-iodobenzene With n-butyllithium In tetrahydrofuran at -78℃; for 1.5h; Inert atmosphere; Stage #2: 2-chloro-4,6-diphenyl-1,3,5-triazine In tetrahydrofuran at -78 - 20℃; for 1.5h; Inert atmosphere;	30%

: 3132-99-8
m-bromobenzoic aldehyde

: 864377-31-1
2-(3-bromo-phenyl)-4,6-diphenyl-1,3,5-triazine

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: toluene / 8 h / Reflux 2.1: sodium hydroxide / ethanol / 16 h / 80 °C / Inert atmosphere 2.2: 16 h / 80 °C / Inert atmosphere View Scheme
Multi-step reaction with 2 steps 1: ethanol / 3 h / 20 °C 2: sodium hydroxide / ethanol / 12 h / Reflux View Scheme
Multi-step reaction with 2 steps 1.1: toluene / 8 h / Reflux 2.1: sodium hydroxide / ethanol / 16 h / 80 °C / Inert atmosphere 2.2: 16 h / 80 °C View Scheme
Multi-step reaction with 2 steps 1.1: toluene / 8 h / Inert atmosphere; Reflux; Dean-Stark 2.1: sodium hydroxide / ethanol / 18 h / Inert atmosphere; Reflux 2.2: 16 h / Inert atmosphere; Reflux View Scheme

: 3842-55-5
2-chloro-4,6-diphenyl-1,3,5-triazine

: 864377-31-1
2-(3-bromo-phenyl)-4,6-diphenyl-1,3,5-triazine

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium acetate; tricyclohexylphosphine / N,N-dimethyl-formamide / 12 h / Inert atmosphere; Reflux 2: tetrakis(triphenylphosphine) palladium(0); potassium carbonate / tetrahydrofuran; water / 10 h / Inert atmosphere; Reflux View Scheme

: 98-80-6
phenylboronic acid

: 864377-31-1
2-(3-bromo-phenyl)-4,6-diphenyl-1,3,5-triazine

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: potassium carbonate; tetrakis(triphenylphosphine) palladium(0) / 1,4-dioxane; toluene; water / 6 h / 100 °C 2: potassium carbonate; tetrakis(triphenylphosphine) palladium(0) / 1,4-dioxane; toluene / 12 h / 100 °C View Scheme

: 864377-31-1
2-(3-bromo-phenyl)-4,6-diphenyl-1,3,5-triazine

: 73183-34-3
bis(pinacol)diborane

: 4,4,5,5-tetramethyl-2-(5'-phenyl-[1,1’:3' ,1"-terphenyl]-4-yl)-1,3,2-dioxaborolane

Conditions

Conditions	Yield
With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium acetate In 1,4-dioxane for 17h; Reflux;	96%
With dichloro(1,1'-bis(diphenylphosphanyl)ferrocene)palladium(II)*CH2Cl2; potassium acetate In 1,4-dioxane at 90℃; for 12h; Reflux;	96.8%
With bis-triphenylphosphine-palladium(II) chloride; potassium acetate In tetrahydrofuran at 80℃; for 3h; Inert atmosphere;	93%

: 864377-31-1
2-(3-bromo-phenyl)-4,6-diphenyl-1,3,5-triazine

: 3-(2-pyridyl)-9H-carbazole

: 3-(3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl)-9H-carbazole

Conditions

Conditions	Yield
With tetrakis(triphenylphosphine) palladium(0); potassium carbonate In 1,4-dioxane; water for 17h; Inert atmosphere; Reflux;	96%

: 864377-31-1
2-(3-bromo-phenyl)-4,6-diphenyl-1,3,5-triazine

: 2-(2,8-diphenyldibenzo[b,d]thiophen-4-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

: C45H29N3S

Conditions

Conditions	Yield
With dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane; potassium phosphate; tris-(dibenzylideneacetone)dipalladium(0) In 1,2-dimethoxyethane; water; toluene for 16h; Inert atmosphere; Reflux;	95%

: 864377-31-1
2-(3-bromo-phenyl)-4,6-diphenyl-1,3,5-triazine

: 63503-60-6
3-chlorophenylboronic acid

: 2-(3'-chloro-[1,1'-biphenyl]-3-yl)-4,6-diphenyl-1,3,5-triazine

Conditions

Conditions	Yield
With tetrakis(triphenylphosphine) palladium(0); potassium carbonate In tetrahydrofuran; water at 80℃; for 12h; Inert atmosphere;	95%
With tetrakis(triphenylphosphine) palladium(0); potassium carbonate In tetrahydrofuran; water at 80℃; for 12h; Inert atmosphere;	95%
With tetrakis(triphenylphosphine) palladium(0); potassium carbonate In tetrahydrofuran; water at 80℃; for 12h; Inert atmosphere;	95%

: 864377-31-1
2-(3-bromo-phenyl)-4,6-diphenyl-1,3,5-triazine

: C24H15N

: C45H28N4

Conditions

Conditions	Yield
With tris-(dibenzylideneacetone)dipalladium(0); tri-tert-butyl phosphine; sodium t-butanolate In toluene at 110℃; for 15h; Inert atmosphere;	95%

: 864377-31-1
2-(3-bromo-phenyl)-4,6-diphenyl-1,3,5-triazine

: C24H13NO

: C45H26N4O

Conditions

Conditions	Yield
With tris-(dibenzylideneacetone)dipalladium(0); tri-tert-butyl phosphine; sodium t-butanolate In toluene for 3h; Reflux;	95%

: 864377-31-1
2-(3-bromo-phenyl)-4,6-diphenyl-1,3,5-triazine

: C28H18Br2Cl2SiZn2

: C70H46Br2N6Si

Conditions

Conditions	Yield
In toluene for 12h; Inert atmosphere; Reflux;	94%

: 1307859-67-1
((3-(dibenzo[b,d]thiophen-4-yl)phenyl)boronic acid)

: 864377-31-1
2-(3-bromo-phenyl)-4,6-diphenyl-1,3,5-triazine

: 2-(3'-(dibenzo[b,d]thiophen-4-yl)-[1,1'-biphenyl]-3-yl)-4,6-diphenyl-1,3,5-triazine

Conditions

Conditions	Yield
With dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane; potassium phosphate; tris-(dibenzylideneacetone)dipalladium(0) In tetrahydrofuran; water for 1h; Suzuki-Miyaura Coupling; Reflux; Inert atmosphere;	93%
With dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane; potassium phosphate; tris-(dibenzylideneacetone)dipalladium(0) In tetrahydrofuran; water at 80℃; for 15h; Inert atmosphere;	81.5%

: 864377-31-1
2-(3-bromo-phenyl)-4,6-diphenyl-1,3,5-triazine

: 2-phenyl-4H-thieno[3,2-b]indole

: C37H24N4S

Conditions

Conditions	Yield
With tri-tert-butyl phosphine; sodium t-butanolate In toluene for 12h; Reflux; Inert atmosphere;	92%

: 864377-31-1
2-(3-bromo-phenyl)-4,6-diphenyl-1,3,5-triazine

: 2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,10-phenanthroline

: 4,6-diphenyl-2-[3-(1,10-phenanthrolin-2-yl)phenyl]-1,3,5-triazine

Conditions

Conditions	Yield
With palladium diacetate; caesium carbonate; triphenylphosphine In tetrahydrofuran for 19h; Inert atmosphere; Reflux;	91%

: 864377-31-1
2-(3-bromo-phenyl)-4,6-diphenyl-1,3,5-triazine

: C27H19NO

: C48H32N4O

Conditions

Conditions	Yield
With tris-(dibenzylideneacetone)dipalladium(0); 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; sodium t-butanolate In 5,5-dimethyl-1,3-cyclohexadiene at 145℃; for 3h; Inert atmosphere;	90%

: 864377-31-1
2-(3-bromo-phenyl)-4,6-diphenyl-1,3,5-triazine

: 7H-spiro[chromeno[2,3-b]carbazole-13,9'-fluorene]

: C52H32N4O

Conditions

Conditions	Yield
With bis(tri-t-butylphosphine)palladium(0); sodium t-butanolate In 5,5-dimethyl-1,3-cyclohexadiene for 4h; Inert atmosphere; Reflux;	90%

: 864377-31-1
2-(3-bromo-phenyl)-4,6-diphenyl-1,3,5-triazine

: 100622-34-2
anthracene-9-boronic acid

: 2-(3-(anthracen-9-yl)phenyl)-4,6-diphenyl-1,3,5-triazine

Conditions

Conditions	Yield
With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium carbonate In ethanol; water; toluene for 22h; Inert atmosphere; Reflux;	90%
With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; potassium carbonate In ethanol; water; toluene for 18h; Inert atmosphere; Reflux;	90%

: 864377-31-1
2-(3-bromo-phenyl)-4,6-diphenyl-1,3,5-triazine

: (5-phenyl-5H-benzofuro[3,2-c]carbazol-11-yl)boronic acid

: C45H28N4O

Conditions

Conditions	Yield
With tetrakis(triphenylphosphine) palladium(0); potassium carbonate In tetrahydrofuran; water for 12h; Reflux; Inert atmosphere;	90%

: 864377-31-1
2-(3-bromo-phenyl)-4,6-diphenyl-1,3,5-triazine

: 2-(5-(dibenzo[b,d]thiophen-4-yl)-[1,1'-biphenyl]-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

: C45H29N3S

Conditions

Conditions	Yield
With tetrakis(triphenylphosphine) palladium(0); potassium carbonate In 1,2-dimethoxyethane; water for 14h; Inert atmosphere; Reflux;	89%

: 864377-31-1
2-(3-bromo-phenyl)-4,6-diphenyl-1,3,5-triazine

: C22H13NO2

: C43H26N4O2

Conditions

Conditions	Yield
With tris-(dibenzylideneacetone)dipalladium(0); tri-tert-butyl phosphine; sodium t-butanolate In toluene for 5h; Inert atmosphere; Reflux;	89%

: 864377-31-1
2-(3-bromo-phenyl)-4,6-diphenyl-1,3,5-triazine

: C12H7N3S

: C33H20N6S

Conditions

Conditions	Yield
With tris-(dibenzylideneacetone)dipalladium(0); tri-tert-butyl phosphine; sodium t-butanolate In toluene for 5h; Inert atmosphere; Reflux;	89%

: 864377-31-1
2-(3-bromo-phenyl)-4,6-diphenyl-1,3,5-triazine

: C22H15N

: C43H28N4

Conditions

Conditions	Yield
Stage #1: 2-(3-bromophenyl)-4,6-diphenyl-[1,3,5]triazine; C22H15N With sodium t-butanolate In 5,5-dimethyl-1,3-cyclohexadiene for 0.5h; Heating; Stage #2: With bis(tri-t-butylphosphine)palladium(0) In 1-methyl-pyrrolidin-2-one; 5,5-dimethyl-1,3-cyclohexadiene for 2h; Buchwald-Hartwig Coupling; Reflux;	88.4%

: 864377-31-1
2-(3-bromo-phenyl)-4,6-diphenyl-1,3,5-triazine

: 3-[4-(2-pyridyl)phenyl]carbazole

: 3-[4-(2-pyridyl)phenyl]-9-[3-(4,6-diphenyltriazin-2-yl)phenyl]carbazole

Conditions

Conditions	Yield
With 18-crown-6 ether; tri-tert-butyl phosphine; palladium diacetate; potassium carbonate In 5,5-dimethyl-1,3-cyclohexadiene; toluene for 4h; Inert atmosphere; Reflux;	88%

: 864377-31-1
2-(3-bromo-phenyl)-4,6-diphenyl-1,3,5-triazine

: C26H17BO2

: C47H29N3

Conditions

Conditions	Yield
With tetrakis(triphenylphosphine) palladium(0); sodium carbonate In ethanol; water; toluene for 12h; Inert atmosphere; Reflux;	88%

: 864377-31-1
2-(3-bromo-phenyl)-4,6-diphenyl-1,3,5-triazine

: B-[6-(9-phenyl-9H-carbazol-3-yl)-4-dibenzofuranyl]boronic acid

: 3-{6-[3-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]dibenzofuran-4-yl}-9-phenyl-9H-carbazole

Conditions

Conditions	Yield
With tetrakis(triphenylphosphine) palladium(0); sodium carbonate In ethanol; water for 16h; Suzuki Coupling; Reflux;	87%

: 864377-31-1
2-(3-bromo-phenyl)-4,6-diphenyl-1,3,5-triazine

: 4,4,5,5-tetramethyl-2-(7-phenyldibenzo[b,e][1,4]dioxin-2-yl)-1,3,2-dioxaborolane

: 2,4-diphenyl-6-(3-(7-phenyldibenzo[b,e][1,4]dioxin-2-yl)phenyl)-1,3,5-triazine

Conditions

Conditions	Yield
With tetrakis(triphenylphosphine) palladium(0); sodium carbonate In water; toluene for 8h; Heating;	87%

: 864377-31-1
2-(3-bromo-phenyl)-4,6-diphenyl-1,3,5-triazine

: C30H17NS

: C51H30N4S

Conditions

Conditions	Yield
With bis(tri-t-butylphosphine)palladium(0); sodium t-butanolate In 5,5-dimethyl-1,3-cyclohexadiene for 11h; Inert atmosphere; Reflux;	87%

: 864377-31-1
2-(3-bromo-phenyl)-4,6-diphenyl-1,3,5-triazine

: C36H25BN2O2

: C57H37N5

Conditions

Conditions	Yield
With tetrakis(triphenylphosphine) palladium(0); sodium carbonate In 1,2-dimethoxyethane; water at 95℃; for 6h; Inert atmosphere;	87%

: 864377-31-1
2-(3-bromo-phenyl)-4,6-diphenyl-1,3,5-triazine

: 2-(3-iodophenyl)-4,6-diphenyl-1,3,5-triazine

Conditions

Conditions	Yield
Stage #1: 2-(3-bromophenyl)-4,6-diphenyl-[1,3,5]triazine With n-butyllithium In tetrahydrofuran at -78℃; for 1h; Inert atmosphere; Stage #2: With iodine In tetrahydrofuran at -78 - 20℃; for 1h; Inert atmosphere;	87%

: 864377-31-1
2-(3-bromo-phenyl)-4,6-diphenyl-1,3,5-triazine

: C23H14BNO3

: C44H26N4O

Conditions

Conditions	Yield
With tetrakis(triphenylphosphine) palladium(0); potassium carbonate In ethanol; water; toluene at 110℃; for 5h; Inert atmosphere;	86.49%

2-(4-Bromo-phenyl)-4,6-diphenyl-[1,3,5]triazine Specification

The 1,3,5-Triazine, 2-(3-bromophenyl)-4,6-diphenyl- has the CAS registry number 864377-31-1. This chemical's molecular formula is C₂₁H₁₄BrN₃ and molecular weight is 388.26. What's more, its systematic name is 2-(4-bromophenyl)-4,6-diphenyl-1,3,5-triazine.

Physical properties of 1,3,5-Triazine, 2-(3-bromophenyl)-4,6-diphenyl- are: (1)ACD/LogP: 6.48; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.48; (4)ACD/LogD (pH 7.4): 6.48; (5)ACD/BCF (pH 5.5): 49761.86; (6)ACD/BCF (pH 7.4): 49762.73; (7)ACD/KOC (pH 5.5): 80097.38; (8)ACD/KOC (pH 7.4): 80098.79; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 38.67 Å²; (13)Index of Refraction: 1.645; (14)Molar Refractivity: 101.99 cm³; (15)Molar Volume: 281.1 cm³; (16)Polarizability: 40.43×10^-24cm³; (17)Surface Tension: 53.4 dyne/cm; (18)Density: 1.381 g/cm³; (19)Flash Point: 300.9 °C; (20)Enthalpy of Vaporization: 82.8 kJ/mol; (21)Boiling Point: 573.9 °C at 760 mmHg; (22)Vapour Pressure: 1.41E-12 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Brc4ccc(c1nc(nc(n1)c2ccccc2)c3ccccc3)cc4
(2)Std. InChI: InChI=1S/C21H14BrN3/c22-18-13-11-17(12-14-18)21-24-19(15-7-3-1-4-8-15)23-20(25-21)16-9-5-2-6-10-16/h1-14H
(3)Std. InChIKey: AYHGAQGOMUQMTR-UHFFFAOYSA-N

Product Name

2-(3-Bromophenyl)-4,6-diphenyl-1,3,5-triazine

Synthetic route

2-(4-Bromo-phenyl)-4,6-diphenyl-[1,3,5]triazine Specification

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