2H-Imidazol-2-ylidene,1,3-bis[2,6-bis(1-methylethyl)phenyl]-1,3-dihydro- supplier

Name
1,3-BIS(2,6-DI-I-PROPYLPHENYL)IMIDAZOL-2-YLIDENE
EINECS
CAS No. 244187-81-3
Article Data40
CAS DataBase
Density
Solubility
Melting Point 213-217 °C
Formula C₂₇H₃₆N₂
Boiling Point 464.8 °C at 760 mmHg
Molecular Weight 388.596
Flash Point 204.1 °C
Transport Information
Appearance
Safety 16
Risk Codes 10
Molecular Structure
Hazard Symbols
Synonyms 1,3-Bis(2,6-diisopropylphenyl)-1,3-dihydro-2H-imidazol-2-ylidene;1,3-Bis(2,6-diisopropylphenyl)imidazol-2-ylidene;1,3-Bis(2,6-diisopropylphenyl)imidazolylidene;1,3-Bis-(2,6-di-isopropylphenyl)-4,5-dihydroimidazol-2-ylidene;N,N'-Bis(2,6-diisopropylphenyl)imidazol-2-ylidene;
PSA 6.48000
LogP 7.81790

Synthetic route

: 1,3-bis(2,6-diisopropylphenyl)-4,5-dihydroimidazole trafluoroborate

: 244187-81-3
1,3-bis-(2,6-diisopropylphenyl)-imidazol-2-ylidene

Conditions

Conditions	Yield
With potassium tert-butylate In tetrahydrofuran for 6h;	97%
With potassium tert-butylate In tetrahydrofuran at 20℃; for 4h;	96.5%
With potassium tert-butylate; sodium hydride In tetrahydrofuran for 12h; Schlenk technique; Inert atmosphere;	78%

: 250285-32-6
1,3-bis[2,6-diisopropylphenyl]imidazolium chloride

: 244187-81-3
1,3-bis-(2,6-diisopropylphenyl)-imidazol-2-ylidene

Conditions

Conditions	Yield
With [Fe(η5-cyclopentadienyl)(η-benzene)]; oxygen In tetrahydrofuran-d8 at 20℃; for 0.0166667h;	95%
With potassium tert-butylate In tetrahydrofuran at 20℃; for 3.5h; Inert atmosphere;	93%
With potassium tert-butylate In tetrahydrofuran for 4h; Glovebox;	90%

: 1,3-bis[2,6-bis(1-methylethyl)phenyl]-1,3-dihydro-2H-imidazol-2-ylidene monohydrochloride

: 244187-81-3
1,3-bis-(2,6-diisopropylphenyl)-imidazol-2-ylidene

Conditions

Conditions	Yield
With potassium tert-butylate	90%
With potassium tert-butylate In tetrahydrofuran at 20℃; for 5h; Inert atmosphere; Schlenk technique;

: 1201311-20-7
N,N-bis(2,6-diisopropylphenyl)-2,4-diphenylimidazol-5-ylidene-1-ium

: 1228185-08-7
1,3-bis(2,6-diisopropylphenyl)-2-benzoylimidazolium chloride

A: 1228185-25-8
C46H49N2O(1+)*Cl(1-)

B: 244187-81-3
1,3-bis-(2,6-diisopropylphenyl)-imidazol-2-ylidene

Conditions

Conditions	Yield
In tetrahydrofuran at 20℃; for 0.5h; Inert atmosphere;	A 73% B n/a

...Expand

: N,N′-bis(2,6-diisopropylphenyl)imidazol-2-ylidene hydrochloride

: 244187-81-3
1,3-bis-(2,6-diisopropylphenyl)-imidazol-2-ylidene

Conditions

Conditions	Yield
With potassium tert-butylate; sodium hydride In tetrahydrofuran for 16h;	68%
With potassium tert-butylate Schlenk technique; Inert atmosphere;

: 24544-04-5
2,6-diisopropylbenzenamine

: 244187-81-3
1,3-bis-(2,6-diisopropylphenyl)-imidazol-2-ylidene

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1.1: 77.5 percent / formic acid / ethanol; H2O / 48 h 2.1: toluene / 100 °C 2.2: 47 percent / HCl / toluene; dioxane / 5 h / 70 °C 3.1: 79 percent / KOt-Bu / tetrahydrofuran / 4 h / 20 °C View Scheme
Multi-step reaction with 3 steps 1: 90 percent / propan-1-ol; H2O / 1 h / 70 °C 2: 47 percent / water / tetrahydrofuran / 16 h / 40 °C 3: 80 percent / KO-t-Bu / tetrahydrofuran / 0.33 h / 20 °C View Scheme
Multi-step reaction with 3 steps 1: acetic acid / water; methanol / 50 °C 2: chloro-trimethyl-silane / ethyl acetate / 70 °C 3: potassium tert-butylate / tetrahydrofuran / 3.5 h / 23 °C / Inert atmosphere View Scheme

: 74663-75-5
(1E,2E)-N1,N2-bis(2,6-diisopropylphenyl)-ethane-1,2-diimine

: 244187-81-3
1,3-bis-(2,6-diisopropylphenyl)-imidazol-2-ylidene

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1.1: toluene / 100 °C 1.2: 47 percent / HCl / toluene; dioxane / 5 h / 70 °C 2.1: 79 percent / KOt-Bu / tetrahydrofuran / 4 h / 20 °C View Scheme

: 74663-75-5
1,2-bis(2,6-diisopropylphenylimino)ethane

: 244187-81-3
1,3-bis-(2,6-diisopropylphenyl)-imidazol-2-ylidene

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: 47 percent / water / tetrahydrofuran / 16 h / 40 °C 2: 80 percent / KO-t-Bu / tetrahydrofuran / 0.33 h / 20 °C View Scheme
Multi-step reaction with 2 steps 1: chloro-trimethyl-silane / ethyl acetate / 70 °C 2: potassium tert-butylate / tetrahydrofuran / 3.5 h / 23 °C / Inert atmosphere View Scheme
Multi-step reaction with 2 steps 1: chloro-trimethyl-silane / ethyl acetate / 2.75 h / 70 °C 2: potassium tert-butylate / tetrahydrofuran / 3.5 h / 23 °C / Inert atmosphere; Glovebox View Scheme
Multi-step reaction with 2 steps 1: hydrogenchloride / 1,4-dioxane; tetrahydrofuran / 0 - 20 °C / Inert atmosphere; Schlenk technique 2: potassium tert-butylate / tetrahydrofuran / 0.5 h / Glovebox; Schlenk technique View Scheme
Multi-step reaction with 2 steps 1: hydrogenchloride / ethyl acetate; 1,4-dioxane 2: potassium tert-butylate / tetrahydrofuran / 4 h / Glovebox View Scheme

: N,N'-bis(2,6-diisopropylphenyl)imidazol-2-ylidene tetrafluoroborate

: 244187-81-3
1,3-bis-(2,6-diisopropylphenyl)-imidazol-2-ylidene

Conditions

Conditions	Yield
With potassium tert-butylate; sodium hydride In tetrahydrofuran at 20℃; Inert atmosphere;

: C27H36N3O

A: 1060651-05-9
1,3-bis[2,6-di(propan-2-yl)phenyl]-1,3-dihydro-2H-imidazol-2-one

B: 10102-43-9
nitrogen(II) oxide

C: 10024-97-2
dinitrogen monoxide

D: 244187-81-3
1,3-bis-(2,6-diisopropylphenyl)-imidazol-2-ylidene

Conditions

Conditions	Yield
at 120℃; for 0.5h; Sealed tube;	A 48 %Chromat. B n/a C n/a D 52 %Chromat.

...Expand

: Cp*Co(1,3-bis(2,6-diisopropylphenyl)imidazole-2-ylidene)

: 594-09-2
trimethylphosphane

A: (η(5)-C5Me5)Co(PMe3)2

B: 244187-81-3
1,3-bis-(2,6-diisopropylphenyl)-imidazol-2-ylidene

Conditions

Conditions	Yield
In toluene at 65℃; for 16h;

...Expand

: 74-85-1
ethene

: Cp*Co(1,3-bis(2,6-diisopropylphenyl)imidazole-2-ylidene)

A: bis(η2-ethylene)(η5-pentamethylcyclopentadienyl)cobalt(I)

B: 244187-81-3
1,3-bis-(2,6-diisopropylphenyl)-imidazol-2-ylidene

Conditions

Conditions	Yield
In toluene at 25℃; for 3h; Inert atmosphere;

...Expand

: C54H73N4Si2

: 244187-81-3
1,3-bis-(2,6-diisopropylphenyl)-imidazol-2-ylidene

Conditions

Conditions	Yield
at 147℃; Sealed tube; High pressure;	95 %Spectr.

: 50-00-0
formaldehyd

: 74663-75-5
1,2-bis(2,6-diisopropylphenylimino)ethane

: 244187-81-3
1,3-bis-(2,6-diisopropylphenyl)-imidazol-2-ylidene

Conditions

Conditions	Yield
Stage #1: formaldehyd; 1,2-bis(2,6-diisopropylphenylimino)ethane In toluene at 100℃; for 2h; Stage #2: With hydrogenchloride In 1,4-dioxane; toluene at 40℃; Stage #3: With potassium tert-butylate In tetrahydrofuran for 2h;

: 1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene iodide

: 244187-81-3
1,3-bis-(2,6-diisopropylphenyl)-imidazol-2-ylidene

Conditions

Conditions	Yield
With potassium tert-butylate Schlenk technique; Inert atmosphere;

: C12H9N*C27H36N2

A: 86-74-8
9H-carbazole

B: 244187-81-3
1,3-bis-(2,6-diisopropylphenyl)-imidazol-2-ylidene

Conditions

Conditions	Yield
In benzene-d6 at 20℃; Equilibrium constant; Thermodynamic data; Inert atmosphere; Glovebox; Schlenk technique;

: C27H37N2(1+)*C13H9N2(1-)

A: 716-79-0
2-phenyl-1H-benzoimidazole

B: 244187-81-3
1,3-bis-(2,6-diisopropylphenyl)-imidazol-2-ylidene

Conditions

Conditions	Yield
In tetrahydrofuran-d8 at 20℃; Equilibrium constant;

: Nb(NMe2)5

: 1,3-bis(2,6-diisopropylphenyl)-4,5-dihydroimidazole trafluoroborate

: [(IPr)Nb(=NMe)(NMe2)(μ-F)2(μ-NMe2)NbF2(NMe2)]

B: 244187-81-3
1,3-bis-(2,6-diisopropylphenyl)-imidazol-2-ylidene

Conditions

Conditions	Yield
In tetrahydrofuran at 60℃; for 23h; Schlenk technique; Cooling with liquid nitrogen;

...Expand

: 543-90-8
cadmium(II) acetate

: 244187-81-3
1,3-bis-(2,6-diisopropylphenyl)-imidazol-2-ylidene

Conditions

Conditions	Yield
With hexamethyldisilathiane In toluene

: 1600-27-7
mercury(II) diacetate

: 244187-81-3
1,3-bis-(2,6-diisopropylphenyl)-imidazol-2-ylidene

Conditions

Conditions	Yield
With hexamethyldisilathiane In toluene

: 10026-04-7, 53609-55-5
tetrachlorosilane

: 244187-81-3
1,3-bis-(2,6-diisopropylphenyl)-imidazol-2-ylidene

: 1070876-61-7
C27H36Cl4N2Si

Conditions

Conditions	Yield
In hexane at 20℃;	100%

: 244187-81-3
1,3-bis-(2,6-diisopropylphenyl)-imidazol-2-ylidene

: 1080030-15-4
C27H36Cl3N2P

Conditions

Conditions	Yield
With phosphorus trichloride In hexane	100%
With phosphorus trichloride

: 75-77-4
chloro-trimethyl-silane

: 244187-81-3
1,3-bis-(2,6-diisopropylphenyl)-imidazol-2-ylidene

: 1228185-20-3
1,3-bis(2,6-diisopropylphenyl)-4-trimethylsilylimidazol-2-ylidene

Conditions

Conditions	Yield
With sodium 2,2,6,6-tetramethylpiperidide In hexane at 20℃; for 2h; Reagent/catalyst; Inert atmosphere; Schlenk technique;	100%
Stage #1: 1,3-bis-(2,6-diisopropylphenyl)-imidazol-2-ylidene With n-butyllithium In hexane at 20℃; Inert atmosphere; Stage #2: chloro-trimethyl-silane In tetrahydrofuran at 20℃; for 1h; Inert atmosphere;	0.95 g

: 22092-92-8
diisopropopylaminoborane

: 244187-81-3
1,3-bis-(2,6-diisopropylphenyl)-imidazol-2-ylidene

: 1456812-40-0
C33H52BN3

Conditions

Conditions	Yield
In tetrahydrofuran at 20℃; for 2h;	100%

: 1507405-15-3
ZnCp*(C6F5)

: 244187-81-3
1,3-bis-(2,6-diisopropylphenyl)-imidazol-2-ylidene

: ZnCp*(C6F5)(IDipp)

Conditions

Conditions	Yield
In toluene for 0.5h; Inert atmosphere;	100%

: 1295-35-8
bis(1,5-cyclooctadiene)nickel (0)

: 244187-81-3
1,3-bis-(2,6-diisopropylphenyl)-imidazol-2-ylidene

: 2-dimethylvinylsilylbenzaldehyde

: C38H50N2NiOSi

Conditions

Conditions	Yield
In benzene-d6 at 20℃; for 0.25h; Inert atmosphere;	100%

...Expand

: 244187-81-3
1,3-bis-(2,6-diisopropylphenyl)-imidazol-2-ylidene

: 1396781-10-4
C27H34(2)H2N2

Conditions

Conditions	Yield
With chloroform-d1 at 21℃; Inert atmosphere; Sealed tube;	100%

: 2,2’-(dimethylsilanediyl)dibenzaldehyde

: 1295-35-8
bis(1,5-cyclooctadiene)nickel (0)

: 244187-81-3
1,3-bis-(2,6-diisopropylphenyl)-imidazol-2-ylidene

: C43H52N2NiO2Si

Conditions

Conditions	Yield
In benzene-d6 Inert atmosphere;	100%

...Expand

: 716-79-0
2-phenyl-1H-benzoimidazole

: 244187-81-3
1,3-bis-(2,6-diisopropylphenyl)-imidazol-2-ylidene

: C27H37N2(1+)*C13H9N2(1-)

Conditions

Conditions	Yield
In tetrahydrofuran at 20℃; for 0.25h; Equilibrium constant; Inert atmosphere; Glovebox; Schlenk technique;	100%

: lithium cyclopentadienide

: 244187-81-3
1,3-bis-(2,6-diisopropylphenyl)-imidazol-2-ylidene

: C32H41LiN2

Conditions

Conditions	Yield
In tetrahydrofuran for 1h; Schlenk technique;	100%

: 1295-35-8
bis(1,5-cyclooctadiene)nickel (0)

: 107-05-1
3-chloroprop-1-ene

: 244187-81-3
1,3-bis-(2,6-diisopropylphenyl)-imidazol-2-ylidene

: (IPr)Ni(π-allyl)Cl

Conditions

Conditions	Yield
In toluene byproducts: cyclooctadiene; toluene soln.;	99%
Stage #1: bis(1,5-cyclooctadiene)nickel (0); 1,3-bis-(2,6-diisopropylphenyl)-imidazol-2-ylidene In toluene at 20℃; for 1h; Glovebox; Inert atmosphere; Stage #2: 3-chloroprop-1-ene In toluene at 20℃; for 0.25h; Glovebox; Inert atmosphere;	94%

...Expand

: 1295-35-8
bis(1,5-cyclooctadiene)nickel (0)

: C3H5CHNC6H5

: 244187-81-3
1,3-bis-(2,6-diisopropylphenyl)-imidazol-2-ylidene

: [(C3H2N2(C6H3(C3H7)2)2)Ni(C4H6NC6H5)]

Conditions

Conditions	Yield
In benzene-d6 at room temp. for 30 min; NMR;	99%

...Expand

: 1295-35-8
bis(1,5-cyclooctadiene)nickel (0)

: C3H5CHNCH2CH2N(CH3)2

: 244187-81-3
1,3-bis-(2,6-diisopropylphenyl)-imidazol-2-ylidene

: [(C3H2N2(C6H3(C3H7)2)2)Ni(C4H6NCH2CH2N(CH3)2)]

Conditions

Conditions	Yield
In benzene-d6 at room temp. for 1 h; NMR;	99%

...Expand

: 1295-35-8
bis(1,5-cyclooctadiene)nickel (0)

: 244187-81-3
1,3-bis-(2,6-diisopropylphenyl)-imidazol-2-ylidene

: 246509-67-1
Benzyl-[1-cyclopropyl-meth-(E)-ylidene]-amine

: [(C3H2N2(C6H3(C3H7)2)2)Ni(C4H6NCH2C6H5)]

Conditions

Conditions	Yield
In benzene-d6 at room temp. for 30 min; NMR;	99%

...Expand

: 244187-81-3
1,3-bis-(2,6-diisopropylphenyl)-imidazol-2-ylidene

: 1311297-12-7
1,3-bis(2,6-diisopropylphenyl)-1H-imidazole-2(3H)-thione

Conditions

Conditions	Yield
With sulfur In tetrahydrofuran at 20℃; for 24h;	99%
Multi-step reaction with 3 steps 1: sodium t-butanolate / tetrahydrofuran / 2 h / 30 °C / Inert atmosphere 2: tetrahydrofuran / 2 h / Inert atmosphere; Glovebox 3: N,N-dimethylthioformamide; potassium trimethoxy(trifluoromethyl)boranuide / 10 h / 30 °C / Inert atmosphere View Scheme
With sulfur In (2)H8-toluene at 20℃; for 1h; Inert atmosphere;
With sulfur Inert atmosphere;

: 694-53-1
phenylsilane

: 244187-81-3
1,3-bis-(2,6-diisopropylphenyl)-imidazol-2-ylidene

: 1402171-53-2
1-phenyl-2,5-bis-(2,6-diisopropylphenyl)-3,4-dehydro-2,5-diazasilinane

Conditions

Conditions	Yield
at 160℃; for 5h; Inert atmosphere;	99%

: 13240-38-5
isopropylamine borane

: 244187-81-3
1,3-bis-(2,6-diisopropylphenyl)-imidazol-2-ylidene

A: 22092-92-8
diisopropopylaminoborane

B: 888854-17-9
1,3-bis(2,6-diisopropylphenyl)-1,3-dihydro-2H-imidazol-2-ylidene

Conditions

Conditions	Yield
In toluene for 8h; Inert atmosphere; Schlenk technique;	A n/a B 99%

...Expand

: 363596-50-3, 903499-23-0
bis(pentafluorophenyl)zinc toluene adduct (1/1)

: 244187-81-3
1,3-bis-(2,6-diisopropylphenyl)-imidazol-2-ylidene

: [1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene]Zn(C6F5)2

Conditions

Conditions	Yield
In toluene at -35 - 20℃; Glovebox; Inert atmosphere;	99%

: 7297-94-1
tri-p-tolylborane

: 108-88-3
toluene

: 244187-81-3
1,3-bis-(2,6-diisopropylphenyl)-imidazol-2-ylidene

: [(p-Tol)3B(IDipp)Li*1/2toluene]

Conditions

Conditions	Yield
Stage #1: toluene; 1,3-bis-(2,6-diisopropylphenyl)-imidazol-2-ylidene With n-butyllithium In hexane Schlenk technique; Stage #2: tri-p-tolylborane In hexane Schlenk technique;	99%

...Expand

: 5621-44-3
dimethyl 2-methylenepentanedioate

: 76-05-1
trifluoroacetic acid

: 244187-81-3
1,3-bis-(2,6-diisopropylphenyl)-imidazol-2-ylidene

: 1492055-61-4
C35H49N2O4(1+)*C2F3O2(1-)

Conditions

Conditions	Yield
Stage #1: dimethyl 2-methylenepentanedioate; 1,3-bis-(2,6-diisopropylphenyl)-imidazol-2-ylidene In tetrahydrofuran at 20℃; for 1.5h; Stage #2: trifluoroacetic acid In tetrahydrofuran	99%

...Expand

: 244187-81-3
1,3-bis-(2,6-diisopropylphenyl)-imidazol-2-ylidene

: 1445-79-0
trimethyl gallium

: (1,3-di-diisopropylphenylimidazol-2-ylidene)Ga(methyl)3

Conditions

Conditions	Yield
In toluene at -35 - 20℃; Glovebox; Inert atmosphere;	99%

: (2-methylallyl)palladium-chloride dimer

: 244187-81-3
1,3-bis-(2,6-diisopropylphenyl)-imidazol-2-ylidene

: {1,3-bis[2,6-bis(1-methylethyl)phenyl]-2-imidazolidinyl}(chloro)(2-methyl-2-propen-1-yl)palladium

Conditions

Conditions	Yield
In tetrahydrofuran at 20℃; for 2h; Schlenk technique;	98%
In dichloromethane under Ar; mixt. of Pd complex and ligand in CH2Cl2 stirred at 20°C for 1 h; concd. in vac.; Et2O added; cooled to -78°C; filtered; ppt. washed with cold ether; dried under vac.;	42%

: 75-15-0
carbon disulfide

: 244187-81-3
1,3-bis-(2,6-diisopropylphenyl)-imidazol-2-ylidene

: 917604-44-5
1,3-bis(2,6-diisopropylphenyl)imidazolium-2-dithiocarboxylate

Conditions

Conditions	Yield
In tetrahydrofuran for 0.25h;	98%

: 109-72-8, 29786-93-4
n-butyllithium

: 1109-15-5
tris(pentafluorophenyl)borate

: 108-88-3
toluene

: 244187-81-3
1,3-bis-(2,6-diisopropylphenyl)-imidazol-2-ylidene

: C45H36BF15N2(1-)*C7H8*Li(1+)

Conditions

Conditions	Yield
Stage #1: n-butyllithium; 1,3-bis-(2,6-diisopropylphenyl)-imidazol-2-ylidene In toluene Schlenk technique; Stage #2: tris(pentafluorophenyl)borate In toluene for 4h; Schlenk technique; Stage #3: toluene Schlenk technique;	98%

...Expand

: 86-74-8
9H-carbazole

: 244187-81-3
1,3-bis-(2,6-diisopropylphenyl)-imidazol-2-ylidene

: C12H9N*C27H36N2

Conditions

Conditions	Yield
In benzene at 20℃; for 0.25h; Equilibrium constant; Thermodynamic data; Solvent; Inert atmosphere; Glovebox; Schlenk technique;	98%

: 108-22-5
Isopropenyl acetate

: 244187-81-3
1,3-bis-(2,6-diisopropylphenyl)-imidazol-2-ylidene

: {1,3-bis[2,6-di(propan-2-yl)phenyl]-1H-imidazol-3-ium-2-yl} ethenolate

Conditions

Conditions	Yield
In tetrahydrofuran-d8 at 20℃; for 0.5h; Inert atmosphere; Glovebox; Sealed tube;	98%

: 124-38-9
carbon dioxide

: 244187-81-3
1,3-bis-(2,6-diisopropylphenyl)-imidazol-2-ylidene

: 1,3-bis(2,6-diisopropylphenyl)imidazolinium-2-carboxylate

Conditions

Conditions	Yield
In diethyl ether at 0℃; under 760.051 Torr; for 0.5h;	97%
In diethyl ether at -78℃; under 760 Torr;	90%
In diethyl ether at -78 - 20℃; under 760.051 Torr;	85%
In tetrahydrofuran under 760.051 Torr;

: 1295-35-8
bis(1,5-cyclooctadiene)nickel (0)

: 2687-12-9
cinnamyl chloride

: 244187-81-3
1,3-bis-(2,6-diisopropylphenyl)-imidazol-2-ylidene

: [Ni(1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene)(cin)Cl]

Conditions

Conditions	Yield
In toluene byproducts: cyclooctadiene; toluene soln.;	97%
Stage #1: bis(1,5-cyclooctadiene)nickel (0); cinnamyl chloride With cyclo-octa-1,5-diene at 20℃; Stage #2: 1,3-bis-(2,6-diisopropylphenyl)-imidazol-2-ylidene In tetrahydrofuran at 20℃;	81%

...Expand

: pentacarbonyl(1-ethoxy-3-phenylpropyn-1-ylidene)tungsten

: 244187-81-3
1,3-bis-(2,6-diisopropylphenyl)-imidazol-2-ylidene

: 1418182-95-2
C43H46N2O6W

Conditions

Conditions	Yield
In pentane at 20℃; for 1h; Inert atmosphere;	97%

2H-Imidazol-2-ylidene,1,3-bis[2,6-bis(1-methylethyl)phenyl]-1,3-dihydro- Specification

The 2H-Imidazol-2-ylidene,1,3-bis[2,6-bis(1-methylethyl)phenyl]-1,3-dihydro- is an organic compound with the formula C₂₇H₃₆N₂. The systematic name of this chemical is 1,3-bis(2,6-diisopropylphenyl)imidazole. With the CAS registry number 244187-81-3, it is also named as 1,3-Bis(2,6-diisopropylphenyl)-1,3-dihydro-2H-imidazol-2-ylidene.

Physical properties about 2H-Imidazol-2-ylidene,1,3-bis[2,6-bis(1-methylethyl)phenyl]-1,3-dihydro- are: (1)ACD/LogP: 7.78; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.78; (4)ACD/LogD (pH 7.4): 7.78; (5)ACD/BCF (pH 5.5): 484615.88; (6)ACD/BCF (pH 7.4): 484627.03; (7)ACD/KOC (pH 5.5): 408485.34; (8)ACD/KOC (pH 7.4): 408494.78; (9)#H bond acceptors: 2; (10)#Freely Rotating Bonds: 6; (11)Polar Surface Area: 6.48 Å²; (12)Flash Point: 204.1 °C; (13)Enthalpy of Vaporization: 72.63 kJ/mol; (14)Boiling Point: 464.8 °C at 760 mmHg; (15)Vapour Pressure: 8.11E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC(C)c1cccc(c1N2C=CN([C]2)c3c(cccc3C(C)C)C(C)C)C(C)C
(2)InChI: InChI=1/C27H36N2/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8/h9-16,18-21H,1-8H3
(3)InChIKey: VYCIHDBIKGRENI-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C27H36N2/c1-18(2)22-11-9-12-23(19(3)4)26(22)28-15-16-29(17-28)27-24(20(5)6)13-10-14-25(27)21(7)8/h9-16,18-21H,1-8H3
(5)Std. InChIKey: VYCIHDBIKGRENI-UHFFFAOYSA-N

Product Name

1,3-BIS(2,6-DI-I-PROPYLPHENYL)IMIDAZOL-2-YLIDENE

Synthetic route

2H-Imidazol-2-ylidene,1,3-bis[2,6-bis(1-methylethyl)phenyl]-1,3-dihydro- Specification

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