1-(5-bromo-1H-indol-1-yl)-2,2-dimethylpropan-1-one
5-bromo-1H-indole
Conditions | Yield |
---|---|
With water; 1,8-diazabicyclo[5.4.0]undec-7-ene In tetrahydrofuran at 20℃; for 24h; | 99% |
5-bromo-1H-indole-3-carboxylic acid
5-bromo-1H-indole
Conditions | Yield |
---|---|
With potassium carbonate In ethanol at 140℃; Schlenk technique; | 99% |
5-bromoindoline
5-bromo-1H-indole
Conditions | Yield |
---|---|
With potassium tert-butylate In decane at 150℃; for 36h; Inert atmosphere; Schlenk technique; | 98% |
With bis(1,5-cyclooctadiene)diiridium(I) dichloride In para-xylene at 130℃; for 20h; Inert atmosphere; Sealed tube; | 98% |
With 6C44H32N6O4Ru(2+)*12Hf(2+)*8O(2-)*14HO(1-)*6C16H22ClCoN5O6(1-) In 2,2,2-trifluoroethanol; acetonitrile at 20℃; for 12h; Catalytic behavior; Reagent/catalyst; Inert atmosphere; Irradiation; | 98% |
1-Benzenesulfonyl-5-bromo-indole
5-bromo-1H-indole
Conditions | Yield |
---|---|
With sodium t-butanolate In 1,4-dioxane at 80℃; for 3h; Inert atmosphere; | 94% |
5-bromo-indole-1-carboxylic acid tert-butyl ester
5-bromo-1H-indole
Conditions | Yield |
---|---|
With sodium methylate In methanol at 20℃; for 0.5h; | 92% |
With potassium carbonate In methanol; water for 3h; Heating; | 87% |
With potassium hydroxide In toluene at 150℃; for 0.5h; microwave irradiation; | 80% |
With Verkade's base (R=i-Bu) In methanol at 20℃; for 19h; | 97 % Chromat. |
N-tosyl-5-bromoindole
5-bromo-1H-indole
Conditions | Yield |
---|---|
With sodium hydride In N,N-dimethyl acetamide at 60℃; for 1h; Inert atmosphere; | 92% |
With caesium carbonate In tetrahydrofuran; methanol at 22℃; for 15h; Product distribution; Further Variations:; Reagents; Solvents; Temperatures; reagent ratios; | 88.2% |
With cetyltrimethylammonim bromide; potassium hydroxide In tetrahydrofuran; water for 26h; Reflux; Green chemistry; |
N-acetylindololine-2-sulfonic acid sodium
5-bromo-1H-indole
Conditions | Yield |
---|---|
Stage #1: N-acetylindololine-2-sulfonic acid sodium With bromine In water at 0 - 20℃; for 2h; Stage #2: With sodium hydroxide In water for 20h; Reflux; | 92% |
Stage #1: N-acetylindololine-2-sulfonic acid sodium With bromine In water at 0 - 20℃; Stage #2: With sodium hydroxide In water for 20h; Reflux; | 92% |
With bromine In water at 0 - 5℃; for 0.5h; | 88% |
1H-indol-5-yl trifluoromethanesulfonate
5-bromo-1H-indole
Conditions | Yield |
---|---|
With [Cp*Ru(CH3CN)3]OTf; lithium bromide at 120℃; for 24h; Inert atmosphere; | 88% |
With potassium fluoride; tris-(dibenzylideneacetone)dipalladium(0); t-BuBrettPhos; potassium bromide In 1,4-dioxane at 130℃; for 16h; Inert atmosphere; | 75% |
5-Bromo-1-(methylsulfonyl)indole
5-bromo-1H-indole
Conditions | Yield |
---|---|
With potassium hydroxide In methanol for 18h; Heating; | 85% |
5-bromo-1H-indole
Conditions | Yield |
---|---|
With 2C16H35N*I4Pb(2-)*2H(1+); oxygen In dichloromethane for 14h; Inert atmosphere; Sealed tube; Irradiation; | 84% |
Conditions | Yield |
---|---|
With phosphorus pentachloride; zinc(II) chloride for 0.0666667h; microwave irradiation; | 83% |
5-bromo-1H-indole
Conditions | Yield |
---|---|
Grubbs catalyst first generation In toluene for 5h; Heating; | 81% |
Grubbs catalyst first generation In toluene at 110℃; for 5h; | 81% |
5-bromo-1-carbomethoxyindoline
A
5-bromo-1H-indole
B
3,5-dibromo-1H-indole
Conditions | Yield |
---|---|
Stage #1: 5-bromo-1-carbomethoxyindoline With bromine In tetrachloromethane for 2h; Stage #2: With sodium hydride In methanol for 2h; Heating; Further stages.; | A 75% B 5% |
5-bromo-1H-indole
Conditions | Yield |
---|---|
With water; bromine at 0 - 20℃; for 2h; | 74% |
Stage #1: sodium 1-acetyl-1H-indole-2-sulfonate With N-Bromosuccinimide In N,N-dimethyl-formamide at 20℃; for 2h; Stage #2: With sodium hydroxide In N,N-dimethyl-formamide at 60 - 80℃; for 8h; pH=10; Concentration; Temperature; |
A
5-bromo-1H-indole
B
5,7-dibromo-1H-indole
Conditions | Yield |
---|---|
Stage #1: sodium 1-acetyl-1H-indole-2-sulfonate With bromine In water at 0 - 20℃; for 2h; Stage #2: With sodium hydrogensulfite; sodium hydroxide In water for 20h; Reflux; | A 70.9% B 11.9% |
5-bromo-1H-indole-3-carboxaldehyde
5-bromo-1H-indole
Conditions | Yield |
---|---|
With perchloric acid adsorbed on silica gel; anthranilic acid amide In acetonitrile at 80℃; for 6h; | 65% |
indole
ammonium thiocyanate
A
5-bromo-1H-indole
B
3-thiocyanatoindole
Conditions | Yield |
---|---|
With N-Bromosuccinimide | A n/a B 60% |
2-(5-bromo-2-nitrophenyl)acetonitrile
5-bromo-1H-indole
Conditions | Yield |
---|---|
With hydrogen In para-xylene at 25℃; under 760.051 Torr; for 24h; Solvent; | 60% |
5-bromo-DL-tryptophan
5-bromo-1H-indole
Conditions | Yield |
---|---|
With dipotassium hydrogenphosphate; tryptophanase TnaA at 25℃; pH=7.4; Enzymatic reaction; | 60% |
2-(5-bromo-2-nitrophenyl)acetonitrile
A
5-bromo-1H-indole
B
2-(2-amino-5-bromophenyl)acetonitrile
Conditions | Yield |
---|---|
With hydrogen In methanol at 25℃; under 760.051 Torr; for 24h; Solvent; | A 10% B 52% |
N-(4-bromophenyl)ethenesulfinamide
5-bromo-1H-indole
Conditions | Yield |
---|---|
In toluene at 110℃; for 1h; | 49% |
[(E)-2-(5-bromo-2-nitro-phenyl)-vinyl]-dimethyl-amine
5-bromo-1H-indole
Conditions | Yield |
---|---|
With zinc In acetic acid at 85℃; for 2h; | 47% |
5-bromo-2-nitrobenzaldehyde
(tert-Butoxycarbonylmethylene)triphenylphosphorane
5-bromo-1H-indole
Conditions | Yield |
---|---|
With triphenylphosphine In diphenylether at 260℃; for 1h; | 46% |
vinyl magnesium bromide
para-nitrophenyl bromide
A
5-bromo-1H-indole
B
4-bromo-aniline
Conditions | Yield |
---|---|
In tetrahydrofuran at -40℃; | A 12% B 42% |
Conditions | Yield |
---|---|
With hydrogen In methanol at 25℃; under 760.051 Torr; for 24h; Solvent; | A 36% B 34% |
5-bromo-2-indolecarboxylic acid
5-bromo-1H-indole
Conditions | Yield |
---|---|
With quinoline; copper(I) bromide | |
With copper oxide-chromium oxide; copper | |
With quinoline; copper oxide-chromium oxide |
5-Bromoindolyl radical cation
5-bromo-1H-indole
Conditions | Yield |
---|---|
With 10-[2-(dimethylamino)propyl]phenothiazine In water at 20℃; Rate constant; Equilibrium constant; pH 6.5; |
(4-Bromo-2-trimethylsilanylethynyl-phenyl)-carbamic acid ethyl ester
5-bromo-1H-indole
Conditions | Yield |
---|---|
With sodium ethanolate In ethanol Heating; Yield given; |
5-bromo-1H-indole
Conditions | Yield |
---|---|
With glycerol |
5-bromo-1H-indole
N,N-dimethyl-formamide
5-bromo-1H-indole-3-carboxaldehyde
Conditions | Yield |
---|---|
With trichlorophosphate | 100% |
Stage #1: N,N-dimethyl-formamide With trichlorophosphate Cooling with ice; Stage #2: 5-bromo-1H-indole In N,N-dimethyl-formamide at 20℃; Cooling with ice; Stage #3: With water; potassium hydroxide In N,N-dimethyl-formamide Reflux; | 100% |
With trichlorophosphate In DMF (N,N-dimethyl-formamide) at 0 - 40℃; for 2.25h; Vilsmeier Formylation; | 100% |
Conditions | Yield |
---|---|
Stage #1: 5-bromo-1H-indole With sodium hydride In N,N-dimethyl-formamide at 0℃; for 1h; Stage #2: p-toluenesulfonyl chloride In N,N-dimethyl-formamide at 20℃; for 4.5h; | 100% |
With potassium hydroxide; tetra(n-butyl)ammonium hydrogensulfate In water; toluene at 20℃; | 99% |
With potassium hydroxide; tetra(n-butyl)ammonium hydrogensulfate In water; toluene at 20℃; | 99% |
5-bromo-1H-indole
2,3-dicyano-5,6-dichloro-p-benzoquinone
Conditions | Yield |
---|---|
In 1,4-dioxane for 120h; Ambient temperature; | 100% |
In 1,4-dioxane at 20℃; for 0.5h; |
Conditions | Yield |
---|---|
With sodium hydride In tetrahydrofuran | 100% |
With sodium hydride In dimethyl sulfoxide | 99% |
Stage #1: 5-bromo-1H-indole With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0 - 20℃; for 0.5h; Stage #2: methyl iodide In N,N-dimethyl-formamide; mineral oil at 0 - 20℃; | 98% |
5-bromo-1H-indole
di-tert-butyl dicarbonate
5-bromo-indole-1-carboxylic acid tert-butyl ester
Conditions | Yield |
---|---|
dmap In acetonitrile at 20℃; for 3h; | 100% |
With dmap In acetonitrile at 23℃; for 0.5h; Inert atmosphere; | 99% |
With dmap In acetonitrile at 23℃; for 0.5h; | 99% |
5-bromo-1H-indole
ethyl bromoacetate
ethyl 2-(5-bromo-1H-indol-1-yl)acetate
Conditions | Yield |
---|---|
Stage #1: 5-bromo-1H-indole With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0 - 20℃; for 1h; Stage #2: ethyl bromoacetate In N,N-dimethyl-formamide at 20℃; | 100% |
Stage #1: 5-bromo-1H-indole With sodium hydride In tetrahydrofuran at 0℃; for 0.5h; Stage #2: ethyl bromoacetate In tetrahydrofuran at 20℃; | 47.7% |
Stage #1: 5-bromo-1H-indole With sodium hydride In tetrahydrofuran at 0℃; for 0.25h; Stage #2: ethyl bromoacetate In tetrahydrofuran at 20℃; for 1h; | 42% |
5-bromo-1H-indole
triisopropylsilyl chloride
5-bromo-1-triisopropylsilyl-1H-indole
Conditions | Yield |
---|---|
With sodium hydride In tetrahydrofuran Inert atmosphere; | 100% |
Stage #1: 5-bromo-1H-indole With lithium hexamethyldisilazane In tetrahydrofuran at -78℃; for 0.333333h; Stage #2: triisopropylsilyl chloride In tetrahydrofuran at -78 - 20℃; for 1.33333h; | 99% |
Stage #1: 5-bromo-1H-indole With lithium hexamethyldisilazane In tetrahydrofuran at -78℃; Inert atmosphere; Stage #2: triisopropylsilyl chloride In tetrahydrofuran at -78 - 20℃; Inert atmosphere; | 99% |
Conditions | Yield |
---|---|
With aluminum (III) chloride In acetonitrile at 20℃; for 0.116667h; Michael addition; | 100% |
With phosphotungstic acid In water at 20℃; for 1h; Michael addition; | 97% |
sodium tetrachloroaurate dihydrate In various solvent(s) at 80℃; for 24h; | 95% |
Conditions | Yield |
---|---|
With lithium dibutyl(isopropyl)magnesate In tetrahydrofuran | 100% |
5-bromo-1H-indole
Conditions | Yield |
---|---|
With iodine; potassium iodide; sodium hydroxide In methanol; water at 20℃; for 3h; | 100% |
With iodine; potassium iodide; sodium hydroxide In methanol; water at 20℃; for 3h; Darkness; | 100% |
With N-iodo-succinimide In dimethyl sulfoxide at 30℃; for 0.5h; | 93% |
2-(Dimethylamino)pyridine
5-bromo-1H-indole
Conditions | Yield |
---|---|
In dichloromethane | 100% |
5-bromo-1H-indole
methyl 2-(diallylamino)-2-methoxyacetate
methyl 2-(5-bromo-1H-indol-3-yl)-2-(diallylamino)acetate
Conditions | Yield |
---|---|
With hafnium tetrakis(trifluoromethanesulfonate); chloro-trimethyl-silane In dichloromethane at 20℃; for 1h; | 100% |
Conditions | Yield |
---|---|
Stage #1: phenylmethanethiol With sodium t-butanolate In tetrahydrofuran at 23℃; for 0.166667h; Inert atmosphere; Stage #2: With zinc(II) chloride In tetrahydrofuran for 0.166667h; Inert atmosphere; Stage #3: 5-bromo-1H-indole With di-μ-bromobis(tri-tert-butylphosphino)dipalladium(I); lithium iodide In tetrahydrofuran at 90℃; for 2h; Inert atmosphere; | 100% |
Conditions | Yield |
---|---|
Stage #1: 5-bromo-1H-indole With sodium hydride In dimethyl sulfoxide; mineral oil at 20℃; for 1h; Stage #2: 1-bromo-octane In dimethyl sulfoxide; mineral oil at 20℃; for 3h; | 100% |
Stage #1: 5-bromo-1H-indole With sodium hydride In dimethyl sulfoxide; mineral oil at 20℃; for 1h; Stage #2: 1-bromo-octane In dimethyl sulfoxide; mineral oil at 20℃; for 3h; | 92% |
Stage #1: 5-bromo-1H-indole With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0℃; for 0.333333h; Stage #2: 1-bromo-octane In N,N-dimethyl-formamide; mineral oil at 0 - 20℃; | 90% |
Stage #1: 5-bromo-1H-indole With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0℃; for 0.333333h; Stage #2: 1-bromo-octane In N,N-dimethyl-formamide; mineral oil at 0 - 20℃; | 80% |
Stage #1: 5-bromo-1H-indole With sodium hydride In N,N-dimethyl-formamide; mineral oil Stage #2: 1-bromo-octane In N,N-dimethyl-formamide; mineral oil at 0 - 20℃; for 12h; |
o-fluorobenzyl bromide
5-bromo-1H-indole
N-2-Fluorobenzyl-5-bromoindole
Conditions | Yield |
---|---|
Stage #1: 5-bromo-1H-indole With sodium hydride In N,N-dimethyl-formamide for 0.5h; Stage #2: o-fluorobenzyl bromide In N,N-dimethyl-formamide at 50℃; for 5h; | 100% |
5-bromo-1H-indole
Trichloroacetyl chloride
Conditions | Yield |
---|---|
With pyridine In tetrahydrofuran at 0 - 20℃; Inert atmosphere; | 100% |
Stage #1: 5-bromo-1H-indole With pyridine In tetrahydrofuran at 0℃; for 0.5h; Stage #2: trifluoroacetyl chloride In tetrahydrofuran at 20℃; for 16h; | |
With pyridine; dmap In tetrahydrofuran at 0 - 20℃; Inert atmosphere; |
Conditions | Yield |
---|---|
Stage #1: 5-bromo-1H-indole With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0 - 20℃; for 0.5h; Stage #2: methyl bromide In N,N-dimethyl-formamide; mineral oil at 0 - 20℃; | 100% |
Stage #1: 5-bromo-1H-indole With sodium hydride In N,N-dimethyl-formamide; mineral oil at 0 - 20℃; for 0.5h; Stage #2: methyl bromide In N,N-dimethyl-formamide; mineral oil at 0 - 20℃; for 1h; | 100% |
Stage #1: 5-bromo-1H-indole With sodium hydride In N,N-dimethyl-formamide at 0℃; for 0.166667h; Stage #2: methyl bromide In N,N-dimethyl-formamide at 0 - 20℃; for 2h; | 81% |
5-bromo-1H-indole
ethyl-3,3,3-trifluoropyruvate
Conditions | Yield |
---|---|
Stage #1: 5-bromo-1H-indole With C33H52N4O4; zinc trifluoromethanesulfonate In dichloromethane at 35℃; for 0.5h; Stage #2: ethyl-3,3,3-trifluoropyruvate In dichloromethane at 0℃; for 0.5h; Friedel Crafts alkylation; optical yield given as %ee; enantioselective reaction; | 99% |
With (3aR,11aR,14aS,16bS)-2,2,13,13-tetra-isopropyl-3a,11a,14a,16b-tetrahydro-bis(1,3-dioxolano[4',5':3,4]pyrrolo)[1,2-a:1',2'-a]naphtho[1,2-d:8,7-d']diimidazole; copper(II) bis(trifluoromethanesulfonate) at 0℃; for 1h; Friedel-Crafts Alkylation; Inert atmosphere; Schlenk technique; stereoselective reaction; | 99.1% |
Stage #1: ethyl-3,3,3-trifluoropyruvate With copper(II) bis[bis((trifluoromethyl)sulfonyl)amide]; 1,5-bis[(4S,5S)-1-(4-nitrobenzoyl)-4,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl]benzene In toluene at -78℃; Friedel Crafts alkylation; Molecular sieve; Inert atmosphere; Stage #2: 5-bromo-1H-indole In toluene at -78℃; for 17h; Friedel Crafts alkylation; Inert atmosphere; optical yield given as %ee; enantioselective reaction; | 96% |
With cinchonidine In diethyl ether at -8℃; | |
With cinchonidine In diethyl ether at -8℃; for 3h; enantioselective reaction; |
Conditions | Yield |
---|---|
Stage #1: nitrostyrene With (S)-10,10'-bis[(S)-4-isopropyl-4,5-dihydrooxazol-2-yl]-9,9'-biphenanthrene; zinc(II) trifluoroacetate In diethyl ether at 20℃; for 0.25h; Inert atmosphere; Stage #2: 5-bromo-1H-indole In diethyl ether at 20℃; Friedel-Crafts alkylation; Inert atmosphere; | 99% |
With magnesium iodide In dichloromethane at 20℃; for 24h; Friedel-Crafts Alkylation; | 94% |
With tetrabutylammomium bromide In acetonitrile for 0.166667h; Michael addition reaction; Heating; | 90% |
Conditions | Yield |
---|---|
With Amberlyst sulfonic acid form In acetonitrile at 20℃; for 5h; | 99% |
With pyridinium hydrobromide perbromide In ethyl acetate at 20℃; for 0.25h; | 99% |
With Montmorillonite K10 clay at 20℃; for 0.0833333h; | 96% |
Conditions | Yield |
---|---|
Stage #1: 5-bromo-1H-indole With sodium hydride In dimethyl sulfoxide; mineral oil at 20℃; Inert atmosphere; Schlenk technique; Stage #2: benzyl bromide In dimethyl sulfoxide; mineral oil at 20℃; Inert atmosphere; Schlenk technique; | 99% |
Stage #1: 5-bromo-1H-indole With sodium hydride In N,N-dimethyl-formamide at 0℃; for 0.5h; Stage #2: benzyl bromide In N,N-dimethyl-formamide at 0 - 20℃; for 2h; | 99% |
Stage #1: 5-bromo-1H-indole With potassium tert-butylate In N,N-dimethyl-formamide at 20℃; for 0.5h; Stage #2: benzyl bromide In N,N-dimethyl-formamide at 20℃; for 3h; | 93% |
Conditions | Yield |
---|---|
With tetrakis(triphenylphosphine) palladium(0); sodium carbonate In ethanol; toluene for 5h; Suzuki coupling; Heating; | 99% |
With Tedicyp; potassium carbonate; bis(η3-allyl-μ-chloropalladium(II)) In xylene at 130℃; for 20h; Suzuki cross-coupling reaction; | 70% |
With potassium carbonate In toluene at 90℃; for 1h; Suzuki coupling; Inert atmosphere; | 35 %Chromat. |
Conditions | Yield |
---|---|
In acetonitrile at 20℃; for 3h; Electrochemical reaction; Inert atmosphere; | 99% |
With ammonium cerium (IV) nitrate In methanol at 25℃; for 0.25h; | 97% |
With iodine pentoxide In methanol at 20℃; for 0.33h; | 96% |
1-methyl-piperazine
5-bromo-1H-indole
carbon monoxide
(1H-indol-5-yl)(4-methylpiperazin-1-yl)methanone
Conditions | Yield |
---|---|
With 1,1'-bis-(diphenylphosphino)ferrocene; bis(benzonitrile)palladium(II) dichloride; triethylamine In toluene at 130℃; under 18751.5 Torr; for 20h; | 99% |
Conditions | Yield |
---|---|
With triethylamine; 1,1'-bis-(diphenylphosphino)ferrocene; bis(benzonitrile)palladium(II) dichloride In toluene at 130℃; under 18751.9 Torr; for 20h; | 99% |
Conditions | Yield |
---|---|
With copper(l) iodide; potassium carbonate; bis(η3-allyl-μ-chloropalladium(II)); (1RS,2RS,3SR,4SR)-1,2,3,4-tetrakis((diphenylphosphanyl)methyl)cyclopentane In N,N-dimethyl-formamide at 100℃; for 20h; | 99% |
5-bromo-1H-indole
4-nitrobenzaldehdye
Conditions | Yield |
---|---|
With Amberlyst sulfonic acid form In acetonitrile at 20℃; for 4h; | 99% |
With 1,1,3,3-tetramethylguanidinium chlorosulfonate In neat (no solvent) at 20℃; Green chemistry; | 96% |
With 1,1,3,3-tetramethylguanidinium chlorosulfonate In neat (no solvent) at 20℃; for 0.2h; | 96% |
5-bromo-1H-indole
5-bromoindoline
Conditions | Yield |
---|---|
With potassium tert-butylate; hydrogen; C31H31BrMnNO2P2 In toluene at 100℃; under 37503.8 Torr; for 36h; Autoclave; chemoselective reaction; | 99% |
With C30H29BrMnNO2P2; hydrogen; caesium carbonate In toluene at 100℃; under 37503.8 Torr; for 36h; Autoclave; | 99% |
With sodium cyanoborohydride In acetic acid at 20℃; Inert atmosphere; | 93% |
5-bromo-1H-indole
benzenesulfonyl chloride
1-Benzenesulfonyl-5-bromo-indole
Conditions | Yield |
---|---|
Stage #1: 5-bromo-1H-indole With sodium hydride In tetrahydrofuran at 0 - 20℃; Stage #2: benzenesulfonyl chloride In tetrahydrofuran at 0 - 50℃; | 99% |
With tetra(n-butyl)ammonium hydrogensulfate; sodium hydroxide In dichloromethane at 0℃; for 3h; | 95% |
Stage #1: 5-bromo-1H-indole With sodium hydride In tetrahydrofuran; mineral oil at 0 - 20℃; for 0.166667h; Stage #2: benzenesulfonyl chloride In tetrahydrofuran; mineral oil for 2h; | 95% |
Conditions | Yield |
---|---|
Stage #1: 5-bromo-1H-indole With sodium hydride In dimethyl sulfoxide; mineral oil at 20℃; Inert atmosphere; Schlenk technique; Stage #2: propargyl bromide In dimethyl sulfoxide; mineral oil at 20℃; Inert atmosphere; Schlenk technique; | 99% |
With sodium hydroxide; tetrabutylammomium bromide In water; toluene at 20℃; for 3h; | 93% |
Stage #1: 5-bromo-1H-indole With sodium hydride In N,N-dimethyl-formamide at 0℃; for 1h; Stage #2: propargyl bromide In N,N-dimethyl-formamide at 20℃; | 77% |
The IUPAC name of 5-Bromoindole. With the CAS registry number 10075-50-0, it is also named as 1H-Indole, 5-bromo- ; 5-Bromo-1H-indole . The product's categories are blocks, bromides, indole/indoline/oxindole, indoles and derivatives, halides, organohalides, simple indoles and heterocyclic building blocks.The 5-Bromoindole is white to light brown powder or chunks which should be stored at the temperature of -20°C. It is used as pharmaceutical intermediates.5-Bromoindole is Irritating to eyes, respiratory system and skin.So when you use it ,you should avoid contact with skin and eyes and wear suitable protective clothing, gloves and eye/face protection .In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
Uses of 5-Bromoindole:
It also can be used in the preparation of other chemicals. Foe example: 1. It can react with 3-bromo-2-hydroxyimino-propionic acid ethyl ester to get ethyl 2-hydroximino-3-(5-bromoindol-3-yl)propanoate .
It also reacts with dichloroacetyl chloride to obtain N-{4-bromo-2-[6-bromo-3-(5-bromo-1H-indol-3-yl)-quinolin-2-ylmethyl]-phenyl}-2,2-dichloro-acetamide .
This product is irritating to eyes, respiratory system and skin. So people should avoid contact with skin and eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. If you want to contact this product, you must wear suitable gloves and eye/face protection.
The other characteristics of 5-Bromoindole can be summarized as:
(1)ACD/LogP: 2.788; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.79; (4)ACD/LogD (pH 7.4): 2.79; (5)ACD/BCF (pH 5.5): 77.38; (6)ACD/BCF (pH 7.4): 77.38; (7)ACD/KOC (pH 5.5): 782.50; (8)ACD/KOC (pH 7.4): 782.50; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.711; (13)Molar Refractivity: 46.219 cm3; (14)Molar Volume: 118.056 cm3; (15)Polarizability: 18.323 10-24cm3 ; (16)Surface Tension: 54.8009986877441 dyne/cm; (17)Density: 1.661 g/cm3; (18)Flash Point: 145.484 °C; (19)Enthalpy of Vaporization: 53.608 kJ/mol; (20)Boiling Point: 316.946 °C at 760 mmHg; (21)Vapour Pressure: 0.00100000004749745 mmHg at 25°C.
People can use the following data to convert to the molecule structure:
(1)SMILES:Brc1cc2c(cc1)ncc2;
(2)Std. InChI:InChI=1S/C8H6BrN/c9-7-1-2-8-6(5-7)3-4-10-8/h1-5,10H;
(3)Std. InChIKey:VXWVFZFZYXOBTA-UHFFFAOYSA-N.
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