3,3-diethyl-1-(4-methylphenyl)-1-triazene
4-tolyl iodide
Conditions | Yield |
---|---|
With cation exchange resin BioRad AG 50W-X12 (H+); sodium iodide In acetonitrile at 75℃; Product distribution; further solvent: THF, DMSO; | 99% |
With sulfonic acid resin (H+ form, Bio-Rad AG 50W-12); sodium iodide In acetonitrile at 75℃; for 0.133333h; | 90% |
With chloro-trimethyl-silane; sodium iodide In acetonitrile at 60℃; for 0.0833333h; | 75% |
Conditions | Yield |
---|---|
With potassium iodide In water at 25℃; for 0.0833333h; Solvent; Sandmeyer Reaction; | 99% |
With iodine; potassium iodide In dimethyl sulfoxide at 15℃; | |
With trimethylsilyl iodide; 3-butyl-1-methyl-1H-imidazol-3-ium hexafluorophosphate at 65℃; for 2h; | 98 % Chromat. |
With diiodomethane; tetrabutylammonium perchlorate In methanol; N,N-dimethyl-formamide at 20℃; for 3h; Sandmeyer Reaction; Electrochemical reaction; | 71 %Chromat. |
With trimethylsilyl iodide at 60 - 70℃; Inert atmosphere; Ionic liquid; |
Conditions | Yield |
---|---|
With potassium ferrate(VI); iodine In hexane for 2.33333h; Reflux; regioselective reaction; | 95% |
With N-iodosaccharine at 20℃; Ionic liquid; Darkness; regioselective reaction; | 92% |
With sodium dodecyl-sulfate; sodium iodide; Ce(OH)3OOH at 20℃; for 2h; | 87% |
Conditions | Yield |
---|---|
Stage #1: p-toluidine With potassium sulfite; phosphoric acid In water at 6 - 18℃; for 0.25h; Stage #2: With sodium iodate In water at 35℃; Temperature; | 93% |
Stage #1: p-toluidine With sodium nitrite Stage #2: With potassium iodide | 91% |
Stage #1: p-toluidine With toluene-4-sulfonic acid In water at 20℃; Stage #2: With potassium iodide In water at 20℃; for 1.25h; | 91% |
Conditions | Yield |
---|---|
With copper(I) oxide; L-proline; potassium iodide In ethanol at 110℃; for 30h; Catalytic behavior; Reagent/catalyst; Time; Schlenk technique; Inert atmosphere; Sealed tube; | 93% |
With copper(l) iodide; pyrographite In neat (no solvent) at 150℃; for 36h; | 90% |
With copper(l) iodide; trans-N,N'-dimethylcyclohexane-1,2-diamine; sodium iodide In acetonitrile at 100℃; for 1h; Buchwald's halogen exchange reaction; Inert atmosphere; Microwave irradiation; | 90% |
4-tolyl iodide
Conditions | Yield |
---|---|
With chloroamine-T; sodium iodide In tetrahydrofuran; water at 20℃; for 0.166667h; | 91% |
4-tolyl iodide
Conditions | Yield |
---|---|
With tetra-(n-butyl)ammonium iodide In acetonitrile at 20℃; for 0.75h; Product distribution; Further Variations:; various reagent ratios; Substitution; | 90% |
With tetra-(n-butyl)ammonium iodide In acetonitrile at 20℃; for 0.75h; Substitution; | 82% |
Conditions | Yield |
---|---|
With sodium nitrite In acetonitrile at 80℃; for 0.5h; Reagent/catalyst; Temperature; Sealed tube; | 87% |
With copper(I) oxide; ammonium hydroxide; oxygen; potassium iodide In water at 25℃; for 24h; | 83% |
With iodine; potassium carbonate In acetonitrile at 80℃; for 10h; Solvent; Reagent/catalyst; Temperature; Inert atmosphere; Schlenk technique; Sealed tube; | 81% |
N-(4-methylphenyl)cyanamide
A
phenyl(p-tolyl)cyanamide
B
4-tolyl iodide
Conditions | Yield |
---|---|
With sodium carbonate In water at 80℃; for 2h; | A 86% B 196 mg |
bis(4-methylphenyl)iodonium trifluoromethanesulfonate
isopropylamine
N-(4-methylphenyl)cyanamide
A
4-tolyl iodide
Conditions | Yield |
---|---|
With [2,2]bipyridinyl; potassium carbonate; copper(l) chloride In toluene at 80℃; for 2h; Inert atmosphere; | A 76% B 24% C 85% |
(4-methylphenyl)azo 4-methylphenyl sulfone
4-tolyl iodide
Conditions | Yield |
---|---|
With 18-crown-6 ether; potassium iodide In diethyl ether; acetonitrile for 4h; Ambient temperature; | 84% |
Conditions | Yield |
---|---|
palladium diacetate In tetrahydrofuran at 40℃; for 0.75h; | 83% |
Conditions | Yield |
---|---|
palladium diacetate In water; acetonitrile at 20℃; for 2h; | 82% |
With palladium diacetate In water; acetonitrile at 20℃; for 2h; | 74% |
4-tolyl iodide
Conditions | Yield |
---|---|
With chloroamine-T; sodium iodide In tetrahydrofuran; water at 20℃; for 0.333333h; | 80% |
5,5-dimethyl-2-(4-methylphenyl)-1,3,2-dioxaborinane
4-tolyl iodide
Conditions | Yield |
---|---|
With chloroamine-T; sodium iodide In tetrahydrofuran for 0.166667h; | 78% |
Conditions | Yield |
---|---|
Stage #1: bis(trifluoromethanesulfonyl)amide With tert.-butylnitrite; acetic acid In ethanol Cooling with ice; Stage #2: p-toluidine With tetraethylammonium iodide In water at 20℃; | 78% |
A
4-tolyl iodide
B
diethyl dithiocarbamic acid p-tolyl ester
Conditions | Yield |
---|---|
Ambient temperature; | A n/a B 75% |
Conditions | Yield |
---|---|
With iodine; mercury(II) oxide In nitrobenzene at 180 - 185℃; for 2h; | 75% |
With N-iodo-succinimide; [4,4′-bis(1,1-dimethylethyl)-2,2′-bipyridine-N1,N1′]bis{3,5-difluoro-2-[5-(trifluoromethyl)-2-pyridinyl-κN]phenyl-κC}iridium(III) hexafluorophosphate; iodine; caesium carbonate In 1,2-dichloro-ethane at 50℃; for 24h; Inert atmosphere; Irradiation; Sealed tube; | 67% |
Multi-step reaction with 2 steps 1: thionyl chloride 2: N-hydroxypyridine-2-thione sodium salt, AIBN, CH2I2 / toluene / 0.58 h / Heating View Scheme | |
With tris-(dibenzylideneacetone)dipalladium(0); 1-iodo-butane; N,N,N',N'-tetramethyl-1,8-diaminonaphthalene; chloro-N,N,N',N'-bis(tetramethylene)formamidinium hexafluorophosphate; 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene In toluene at 120℃; for 16h; Sealed tube; Inert atmosphere; | 31 %Chromat. |
benzaldehyde
A
4-tolyl iodide
B
4-methylphenyl(phenyl)methanol
C
toluene
Conditions | Yield |
---|---|
With chromium dichloride; nickel dichloride In N,N-dimethyl-formamide at 25℃; for 5h; Arylation; | A 73 % Spectr. B 73% C 41 % Spectr. |
With chromium dichloride; nickel dichloride In N,N-dimethyl-formamide for 5h; Ambient temperature; | A 73 % Chromat. B 72% C 41 % Chromat. |
4-iodo-benzyl alcohol
4-tolyl iodide
Conditions | Yield |
---|---|
With chlorocarbonylbis(triphenylphosphine)iridium(I); hydrazine hydrate; potassium hydroxide In methanol at 160℃; for 3h; Wolff-Kishner Reduction; Sealed tube; | 73% |
With chlorocarbonylbis(triphenylphosphine)iridium(I); hydrazine hydrate; potassium hydroxide In methanol at 160℃; for 3h; Sealed tube; | 73% |
With 2,4,6-trimethyl-pyridine; 4,4'-dimethoxyphenyl disulfide; iridium(lll) bis[2-(2,4-difluorophenyl)-5-methylpyridine-N,C20]-4,40-di-tert-butyl-2,20-bipyridine hexafluorophosphate; triphenylphosphine In toluene for 24h; Irradiation; | 30 %Chromat. |
Conditions | Yield |
---|---|
With iodine; lithium perchlorate In various solvent(s) Ambient temperature; anodic oxidation; | A 30% B 70% |
With dinitrogen tetraoxide; pyrographite; ferric nitrate; sodium iodide at 20℃; for 20h; | A 40% B 60% |
With iodine In nitromethane at 120℃; for 1h; Sealed tube; Overall yield = 88 %; regioselective reaction; | A 41% B 47% |
1-(4-methylphenyl)-3-(2-methoxy-4-nitrophenyl)-2-triazene
A
4-tolyl iodide
B
2-iodo-5-nitroanisole
Conditions | Yield |
---|---|
With boron trifluoride diethyl etherate; sodium iodide In acetonitrile at 40℃; for 2h; | A 70% B n/a |
Conditions | Yield |
---|---|
With silver tetrafluoroborate; Iodine monochloride In methanol at 0℃; for 0.25h; | 65% |
With iodine; silver trifluoroacetate In methanol at 0℃; for 0.25h; | 64.8% |
With sulfuric acid; potassium iodide In methanol; acetonitrile at 20℃; Electrochemical reaction; | 96 %Chromat. |
chloroform
4,4'-dimethyldiphenyliodonium iodide
A
4-tolyl iodide
B
p-Toluic acid
Conditions | Yield |
---|---|
With bis-triphenylphosphine-palladium(II) chloride; potassium hydroxide at 50℃; for 1h; Carbonylation; | A n/a B 64% |
Conditions | Yield |
---|---|
With 2-Iodobenzoic acid; iodine; 3-chloro-benzenecarboperoxoic acid In acetonitrile at 50℃; for 8h; Darkness; | 61% |
4-tolyl iodide
Conditions | Yield |
---|---|
With zinc(II) iodide In acetonitrile at 20℃; for 2h; | 60% |
Conditions | Yield |
---|---|
With tri-n-propylamine In neat (no solvent) at 140℃; for 18h; Heck Reaction; Green chemistry; | 58% |
1-(p-methylbenzenesulfonyloxy)-1,2-benziodoxol-3(1H)-one
4-tolyl iodide
Conditions | Yield |
---|---|
With iodine In acetonitrile for 16h; Ambient temperature; | 57% |
With iodine In acetonitrile at 20 - 30℃; for 16h; | 57% |
carbon monoxide
4-iodoxy-toluene
A
4-tolyl iodide
B
p-Toluic acid
Conditions | Yield |
---|---|
With sodium tetrachloropalladate; sodium carbonate In water at 50℃; for 10h; Yields of byproduct given; | A n/a B 55% |
lithium 2-nitropropane
(p-methylphenyl)phenyliodonium bromide
A
formaldehyd
B
iodobenzene
C
2,3-dimethyl-2,3-dinitrobutane
D
4-tolyl iodide
Conditions | Yield |
---|---|
In methanol at 30℃; for 48h; Further byproducts given; | A 37% B 44% C 6% D 54% |
4-tolyl iodide
4-dichloroiodanyl-toluene
Conditions | Yield |
---|---|
With hydrogenchloride; sodium hypochlorite at 15℃; for 1h; | 100% |
With chlorine In dichloromethane at 20℃; for 1h; | 96% |
Stage #1: 4-tolyl iodide With urea hydrogen peroxide adduct at 85℃; for 0.25h; Stage #2: With hydrogenchloride for 1h; | 96% |
Conditions | Yield |
---|---|
With palladium diacetate In benzene at 120℃; for 25h; | 100% |
Conditions | Yield |
---|---|
With potassium carbonate; palladium diacetate In water; N,N-dimethyl-formamide at 25℃; under 760 Torr; for 4h; | 100% |
With potassium hydroxide; amphiphilic resin-supported phosphine-palladium; water at 25℃; under 760 Torr; for 12h; Product distribution; Further Variations:; Reagents; hydroxycarbonylation; | 100% |
With dichloro bis(acetonitrile) palladium(II); sodium dodecyl-sulfate; potassium carbonate In water; toluene; butan-1-ol at 50℃; under 760 Torr; for 4h; | 92% |
4-tolyl iodide
acrylic acid methyl ester
3-p-tolyl-acrylic acid methyl ester
Conditions | Yield |
---|---|
With triethylamine; PdCl2(4,4'-bis(n-C10F21CH2OCH2)-2,2'-bpy) In N,N-dimethyl-formamide at 140℃; for 5h; Heck reaction; | 100% |
With sodium acetate; 1-(2-iodophenyl)-1H-tetrazole; palladium diacetate In N,N-dimethyl-formamide at 80℃; for 6h; Product distribution; Further Variations:; Solvents; Temperatures; Heck reaction; | 99% |
With C18H19Cl2N2PPd; triethylamine In N,N-dimethyl-formamide at 140℃; for 2h; Catalytic behavior; Reagent/catalyst; Time; Temperature; Heck Reaction; Inert atmosphere; Schlenk technique; | 99% |
Conditions | Yield |
---|---|
With copper(l) iodide; potassium carbonate; bis(triphenylphosphine)nickel(II) chloride In 1,4-dioxane; water for 4h; Sonogashira-Hagihara reaction; Heating; | 100% |
With copper(l) iodide; triethylamine; triphenylphosphine; (MeNC3H3N)(MeNC3H3NCOC4H8N)PdI2 In N,N-dimethyl-formamide at 20℃; Sonogashira coupling; | 100% |
With copper(l) iodide; 4-(diphenylphosphino)-benzyltrimethylammonium bromide; triethylamine; palladium dichloride at 70℃; for 3h; Sonogashira reaction; Ionic liquid; Inert atmosphere; | 100% |
4-tolyl iodide
phosphonic acid diethyl ester
diethyl 4-methylphenylphosphonate
Conditions | Yield |
---|---|
With Pd(PPh2)(m-C6H4SO3Na)*(H2O)4; triethylamine In water; acetonitrile for 1.5h; Ambient temperature; | 100% |
With triethylsilane; bis-triphenylphosphine-palladium(II) chloride; triethylamine In toluene for 0.183333h; Irradiation; | 91% |
With water extract of rice straw ash (WERSA) In water at 90℃; for 4h; | 90% |
Conditions | Yield |
---|---|
With palladium diacetate In benzene at 120℃; for 25h; | 100% |
tris(dibenzylideneacetone)dipalladium (0) In o-xylene at 145℃; for 1h; | 92% |
Conditions | Yield |
---|---|
With 2-(2-methyl-1-oxopropane)cyclohexanone; caesium carbonate; copper(l) iodide In N,N-dimethyl-formamide at 25℃; for 1.5h; | 100% |
With caesium carbonate; copper(I) bromide In dimethyl sulfoxide at 55℃; for 24h; Ullmann coupling; | 87% |
With tetra(n-butyl)ammonium hydroxide; copper(l) chloride In water at 80℃; for 24h; Inert atmosphere; | 86% |
Conditions | Yield |
---|---|
With sodium carbonate In ethanol; water at 80℃; for 0.166667h; Catalytic behavior; Suzuki-Miyaura Coupling; | 100% |
With potassium carbonate; [PS-PEG-adppp-Pd(η3-C3H5)]Cl In water at 50℃; for 12h; Suzuki-Miyaura coupling; | 99% |
With potassium phosphate tribasic trihydrate In ethanol; water at 60℃; for 0.166667h; Suzuki-Miyaura cross-coupling reaction; | 99% |
Conditions | Yield |
---|---|
With potassium carbonate In ethanol; water at 80℃; for 0.166667h; Suzuki Coupling; | 100% |
With sodium carbonate In ethanol; water at 80℃; for 1h; Suzuki-Miyaura Coupling; Green chemistry; | 100% |
With potassium carbonate; [PS-PEG-adppp-Pd(η3-C3H5)]Cl In water at 50℃; for 12h; Suzuki-Miyaura coupling; | 99% |
Conditions | Yield |
---|---|
With potassium carbonate; copper-palladium In N,N-dimethyl-formamide at 110℃; for 2h; Suzuki cross-coupling; | 100% |
With sodium hydroxide; Pd-dodecanethiolate nanoparticles In tetrahydrofuran at 20℃; for 24h; Suzuki-Miyaura cross-coupling; | 100% |
With Br4Pd(2-)*C25H30N4O2(2+); potassium carbonate In N,N-dimethyl-formamide at 120℃; for 12h; Suzuki-Miyaura reaction; Inert atmosphere; | 100% |
tert-Butyl acrylate
4-tolyl iodide
tert-butyl 4-methylcinnamate
Conditions | Yield |
---|---|
With tetrabutyl ammonium fluoride; palladium dichloride at 40℃; for 3h; Heck reaction; Inert atmosphere; neat (no solvent); | 100% |
With triethylamine; palladium In N,N-dimethyl acetamide at 80℃; for 36h; Heck reaction; | 99% |
With poly(N-isopropylacerylamide)-SCS-PdCl; TEA In n-heptane; N,N-dimethyl acetamide; water at 95℃; for 10h; Heck coupling; | 99% |
acrylic acid n-butyl ester
4-tolyl iodide
(E)-n-butyl 3-(p-tolyl)acrylate
Conditions | Yield |
---|---|
With 1-tert-butyl-3-(2-(diphenylarsinyl)benzyl)-1H-imidazol-3-ium chloride; caesium carbonate; bis(dibenzylideneacetone)-palladium(0) In ISOPROPYLAMIDE at 60℃; for 20h; Heck reaction; Inert atmosphere; | 100% |
With triethylamine; bis(N-methylimidazol-2-yl)Pd(Cl)Me In various solvent(s) at 120℃; for 0.5h; Heck coupling; | 99% |
With potassium phosphate; N,N'-(1,2-ethanediylidene)bishexahydro-1H-azepin-1-amine; tetrabutylammomium bromide; dichloro bis(acetonitrile) palladium(II) In N,N-dimethyl-formamide at 130℃; for 24h; Mizoroki-Heck reaction; | 99% |
4-tolyl iodide
acrylic acid methyl ester
methyl 3-(4-methylphenyl)acrylate
Conditions | Yield |
---|---|
With triethylamine at 145℃; for 6h; Catalytic behavior; Heck Reaction; | 100% |
With [2,6-bis(2-methyloxalol-4-yl)phenyl-κ3-NCN]bromopalladium(II); potassium acetate In 1-methyl-pyrrolidin-2-one at 120℃; for 7h; Mizoroki-Heck reaction; | 99% |
With potassium carbonate In water at 20℃; Heck Reaction; Green chemistry; | 99% |
Conditions | Yield |
---|---|
With C20H20N4O6Pd(2+)*2C2H3O2(1-); tetrabutylammomium bromide; sodium acetate In N,N-dimethyl-formamide at 110℃; for 24h; Heck Reaction; Green chemistry; | 100% |
With tris-(dibenzylideneacetone)dipalladium(0); 2,5-di(2,4,6-trimethylphenyl)-1,2,5-thiadiazolidine-1-oxide; triethylamine In N,N-dimethyl-formamide at 200℃; for 0.166667h; Heck reaction; Microwave irradiation; | 99% |
With potassium hydroxide In water at 80℃; for 20h; Heck reaction; | 99% |
Conditions | Yield |
---|---|
With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine at 20℃; for 5.5h; Sonogashira coupling; Inert atmosphere; | 100% |
With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide In dimethyl sulfoxide; triethylamine at 40 - 45℃; for 10.3h; | 91% |
With potassium carbonate In N,N-dimethyl-formamide at 110℃; for 7h; Sonogashira coupling; | 87% |
4-tolyl iodide
toluene-4-sulfonic acid
<(hydroxy)(tosyloxy)iodo>-p-toluene
Conditions | Yield |
---|---|
With 3-chloro-benzenecarboperoxoic acid In chloroform at 20℃; for 2h; | 100% |
With 3-chloro-benzenecarboperoxoic acid In dichloromethane at 20℃; for 0.5h; | 98% |
With 3-chloro-benzenecarboperoxoic acid In dichloromethane; 2,2,2-trifluoroethanol at 20℃; for 0.5h; | 95% |
4-tolyl iodide
(3-benzyloxy-prop-1-ynyl)trimethylsilanebenzyl ether
bis(iodozinc)methane
Conditions | Yield |
---|---|
With bis(1,5-cyclooctadiene)nickel (0); trifuran-2-yl-phosphane In tetrahydrofuran at 25℃; for 14h; | 100% |
Conditions | Yield |
---|---|
polymer supported palladium catalyst In N,N-dimethyl-formamide at 70℃; for 8h; Stille coupling reaction; | 100% |
Conditions | Yield |
---|---|
With copper(II) acetate monohydrate; caesium carbonate In N,N-dimethyl-formamide at 110℃; for 24h; Inert atmosphere; | 100% |
With Cu6[1,4-bis(imidazol-1-yl)butane]3I6; caesium carbonate In N,N-dimethyl-formamide at 100℃; for 24h; Inert atmosphere; | 97% |
With copper(II) acetate monohydrate; caesium carbonate In N,N-dimethyl-formamide at 110℃; for 24h; Inert atmosphere; | 96% |
Conditions | Yield |
---|---|
Stage #1: 4-tolyl iodide With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triethylamine at 20℃; for 0.166667h; Stage #2: 5-hexyl-1-ol at 20℃; | 100% |
With C24H28Cl2N2PPd; tetrabutyl ammonium fluoride In N,N-dimethyl-formamide at 110℃; for 6h; Sonogashira Cross-Coupling; Inert atmosphere; | 96% |
With potassium phosphate; copper(l) iodide; (E)-1,1-diphenyl-2-(pyridin-2-ylmethylene)hydrazine; dichloro bis(acetonitrile) palladium(II) In N,N-dimethyl-formamide at 70℃; for 5h; Sonogashira cross-coupling; | 73% |
4-(trifluoromethyl)phenylbromonium bis[(trifluoromethyl)sulfonyl]methylide
4-tolyl iodide
p-methylphenyliodonium bis(trifluoromethylsulfonyl)methylide
Conditions | Yield |
---|---|
dirhodium tetraacetate at 40℃; for 0.0833333h; | 100% |
Conditions | Yield |
---|---|
With tetrakis(triphenylphosphine) palladium(0); tetrabutylammonium triphenyldifluorosilicate; silver(l) oxide In tetrahydrofuran at 70℃; for 0.5h; Hiyama-type coupling; | 100% |
With palladium; tetrabutyl ammonium fluoride In tetrahydrofuran at 80℃; for 48h; | 76% |
n-octyne
trans-[Pt(C6H4Me-p)(SC6H4OCH3-p)(PPh3)2]
4-tolyl iodide
trans-PtI(PPh3)2C6H4Me-p
Conditions | Yield |
---|---|
With triphenylphosphine In (2)H8-toluene byproducts: p-CH3C6H4CHC(n-C6H13)SC6H4OCH3-p, p-CH3C6H4SC6H4OCH3-p; P(C6H5)3, toluene-d8, 110°C, 10 h; detected by NMR spectra; | 100% |
Conditions | Yield |
---|---|
With tris(dibenzylideneacetone)dipalladium(0) chloroform complex; tetrabutyl ammonium fluoride; sodium t-butanolate In tetrahydrofuran; water at 60℃; for 1h; Inert atmosphere; | 100% |
cyclopentadienyl iron(II) dicarbonyl dimer
4-tolyl iodide
aniline
4-methyl-N-phenylbenzamide
Conditions | Yield |
---|---|
With palladium diacetate; 1,8-diazabicyclo[5.4.0]undec-7-ene In toluene at 110℃; for 1h; | 100% |
Conditions | Yield |
---|---|
Stage #1: para-iodoanisole With dichloro [1,1'-bis(diphenylphosphino)propane]palladium(II); diisopropopylaminoborane; triethylamine; potassium iodide In toluene at 110℃; for 1h; Suzuki coupling; Inert atmosphere; Stage #2: 4-tolyl iodide With caesium carbonate In ethanol; water; toluene at 90℃; for 15h; Suzuki coupling; Inert atmosphere; | 100% |
With sodium hydroxide In methanol at 20℃; for 24h; Ullmann Condensation; Irradiation; chemoselective reaction; | 95% |
With palladium diacetate; caesium carbonate; 1-indene In N,N-dimethyl-formamide at 20 - 90℃; for 24h; Inert atmosphere; Sealed tube; | 45% |
4-tolyl iodide
Conditions | Yield |
---|---|
With tris-(dibenzylideneacetone)dipalladium(0); caesium carbonate; XPhos In 1,4-dioxane for 4h; Inert atmosphere; Reflux; | 100% |
Conditions | Yield |
---|---|
With [NiBr(2,4,6-trimethylphenyl)(2,2'-bipyridine)] In tetrahydrofuran at 20℃; for 12h; Reagent/catalyst; Negishi Coupling; | 100% |
4-tolyl iodide
Conditions | Yield |
---|---|
With dicyclohexyl-(2',6'-dimethoxybiphenyl-2-yl)-phosphane; potassium tert-butylate; bis(dibenzylideneacetone)-palladium(0) In Dimethyl ether; tert-butyl alcohol at 80℃; for 20h; Suzuki-Miyaura Coupling; Schlenk technique; Inert atmosphere; stereoselective reaction; | 100% |
IUPAC Name: 1-Iodo-4-methylbenzene
Synonyms of 4-Iodotoluene (CAS NO.624-31-7): 1-Methyl-4-iodobenzene ; p-Iodotoluene ; p-Methyliodobenzene ; p-Tolyl iodide
CAS NO: 624-31-7
Molecular Formula: C7H7I
Molecular Weight: 109.13
Molecular Structure:
EINECS: 210-841-7
H bond acceptors: 0
H bond donors: 0
Freely Rotating Bonds: 0
Polar Surface Area: 0 Å2
Index of Refraction: 1.604
Molar Refractivity: 43.98 cm3
Molar Volume: 127.7 cm3
Surface Tension: 39.5 dyne/cm
Density: 1.706 g/cm3
Flash Point: 86.3 °C
Enthalpy of Vaporization: 42.95 kJ/mol
Boiling Point: 211.5 °C at 760 mmHg
Vapour Pressure: 0.264 mmHg at 25°C
Melting point: 33-36°C
Water solubility: insoluble
Sensitive: Light Sensitive
Appearance: white to light yellow crystalline
SMILES: Ic1ccc(cc1)C
InChI: InChI=1/C7H7I/c1-6-2-4-7(8)5-3-6/h2-5H,1H3
InChIKey: UDHAWRUAECEBHC-UHFFFAOYAY
Std. InChI: InChI=1S/C7H7I/c1-6-2-4-7(8)5-3-6/h2-5H,1H3
Std. InChIKey: UDHAWRUAECEBHC-UHFFFAOYSA-N
Product Categories of 4-Iodotoluene (CAS NO.624-31-7): Aromatic Hydrocarbons (substituted) & Derivatives;Halogen toluene;Iodine Compounds;Pharmaceutical Intermediate
4-Iodotoluene (CAS NO.624-31-7) is mainly used for bio-pharmaceutical.
The Hazard Codes: Xi
The Risk Statements information:
36/37/38: Irritating to eyes, respiratory system and skin
The Safety Statements information:
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
24/25: Avoid contact with skin and eyes
WGK Germany: 3
TSCA: T
Hazard Note: Irritant
Explodes when heated above 200°C. Upon decomposition it emits toxic fumes of I−. See also IODIDES.
General Information: As in any fire, wear a self-contained breathing apparatus in pressure-demand, MSHA/NIOSH (approved or equivalent), and full protective gear. During a fire, irritating and highly toxic gases may be generated by thermal decomposition or combustion.
Extinguishing Media: In case of fire, use water, dry chemical, chemical foam, or alcohol-resistant foam.
Handling: Wash thoroughly after handling. Remove contaminated clothing and wash before reuse. Avoid contact with eyes, skin, and clothing. Avoid ingestion and inhalation.
Storage: Store in a cool, dry place. Keep container closed when not in use.
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