2,3-dichloroaniline
1-bromo-2,3-dichlorobenzene
Conditions | Yield |
---|---|
With hydrogen bromide; sodium nitrite; copper In water at 35 - 65℃; Product distribution / selectivity; Sandmeyer Reaction; | 87.7% |
With hydrogen bromide; sodium bromide; sodium nitrite; copper(I) bromide In water at 60 - 65℃; for 2.5h; Product distribution / selectivity; Sandmeyer Reaction; | 84% |
With hydrogen bromide; sodium bromide; sodium nitrite; copper(II) sulfate In water at 45 - 65℃; Product distribution / selectivity; Sandmeyer Reaction; | 83% |
With hydrogen bromide; sodium nitrite; copper(I) bromide In water at 45 - 65℃; Product distribution / selectivity; Sandmeyer Reaction; | 80% |
4-bromo-2,3-dichloro-phenylamine
1-bromo-2,3-dichlorobenzene
N-(4-bromo-3-chlorophenyl)acetamide
1-bromo-2,3-dichlorobenzene
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: glacial acetic acid / durch Chlorierung 2: sulfuric acid; alcohol View Scheme |
4-Bromo-2,3-dichloroacetanilide
1-bromo-2,3-dichlorobenzene
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: sulfuric acid; alcohol View Scheme |
Conditions | Yield |
---|---|
With bis(dibenzylideneacetone)-palladium(0); sodium t-butanolate In 1,4-dioxane at 80℃; for 9h; Temperature; Inert atmosphere; | 94.5% |
1-bromo-2,3-dichlorobenzene
1-t-Butoxycarbonylpiperazine
Conditions | Yield |
---|---|
With tris-(dibenzylideneacetone)dipalladium(0); potassium carbonate; XPhos In acetonitrile at 100℃; for 6h; Inert atmosphere; | 91.1% |
Stage #1: 1-bromo-2,3-dichlorobenzene; 1-t-Butoxycarbonylpiperazine With caesium carbonate In 1-methyl-pyrrolidin-2-one Heating; Stage #2: With tris(dibenzylideneacetone)dipalladium (0); 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl In 1-methyl-pyrrolidin-2-one at 70 - 110℃; for 4h; | 80% |
1-bromo-2,3-dichlorobenzene
Conditions | Yield |
---|---|
With tris-(dibenzylideneacetone)dipalladium(0); sodium butanolate; tri tert-butylphosphoniumtetrafluoroborate In toluene for 3h; Reflux; | 90% |
With dichloro bis((p-dimethylaminophenyl)-ϖ-di-tert-butylphosphine)palladium(II); potassium tert-butylate In o-xylene at 90℃; for 2.5h; | |
With sodium t-butanolate In 5,5-dimethyl-1,3-cyclohexadiene at 90℃; for 2h; Inert atmosphere; | 61.8g |
With sodium t-butanolate In 5,5-dimethyl-1,3-cyclohexadiene at 90℃; for 2h; Inert atmosphere; | 61.8 g |
With bis(di-tert-butyl(4-dimethylaminophenyl)phosphine)dichloropalladium(II); sodium t-butanolate In 5,5-dimethyl-1,3-cyclohexadiene at 90℃; for 2h; Inert atmosphere; | 61.8 g |
Conditions | Yield |
---|---|
With tris-(dibenzylideneacetone)dipalladium(0); sodium butanolate; tri tert-butylphosphoniumtetrafluoroborate In toluene for 3h; Reflux; | 90% |
Conditions | Yield |
---|---|
With 2-(benzothiophen-2-yl)pyridine; sodium t-butanolate In 5,5-dimethyl-1,3-cyclohexadiene at 180℃; for 12h; | 89% |
1-bromo-2,3-dichlorobenzene
4-(1-phenyl-1H-benzoimidazol-2-yl)-aniline
Conditions | Yield |
---|---|
With 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; bis(dibenzylideneacetone)-palladium(0); sodium t-butanolate In toluene at 110℃; for 1h; Inert atmosphere; | 88% |
With 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; bis(dibenzylideneacetone)-palladium(0); sodium t-butanolate In toluene at 110℃; for 1h; Inert atmosphere; | 88% |
Conditions | Yield |
---|---|
With 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; bis(dibenzylideneacetone)-palladium(0); sodium t-butanolate In toluene at 110℃; for 1h; Inert atmosphere; | 87% |
With 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; bis(dibenzylideneacetone)-palladium(0); sodium t-butanolate In toluene at 110℃; for 1h; Inert atmosphere; | 87% |
Conditions | Yield |
---|---|
With bis(tri-t-butylphosphine)palladium(0); sodium t-butanolate In toluene at 110℃; Inert atmosphere; | 84% |
With bis(dibenzylideneacetone)-palladium(0); sodium t-butanolate; tri tert-butylphosphoniumtetrafluoroborate In toluene at 80℃; for 2h; Inert atmosphere; | 80% |
With tetrabutoxytitanium; sodium t-butanolate In 5,5-dimethyl-1,3-cyclohexadiene at 180℃; for 12h; | 57% |
1-bromo-2,3-dichlorobenzene
(2,6-dimethoxyphenyl)boronic acid
Conditions | Yield |
---|---|
With potassium phosphate; tetrakis(triphenylphosphine) palladium(0) In 1,4-dioxane at 90℃; for 2h; | 83% |
Conditions | Yield |
---|---|
With tris-(dibenzylideneacetone)dipalladium(0); tri-tert-butyl phosphine; sodium t-butanolate In toluene at 90℃; for 12h; Inert atmosphere; | 82.6% |
Conditions | Yield |
---|---|
With potassium carbonate; palladium dichloride In ethanol; water at 20℃; for 0.5h; | 82% |
With (R,R)-N,N'-bis[(2-fluorophenyl)methyl]-1,2-cyclohexanediamine PdCl2 complex; potassium carbonate In N,N-dimethyl-formamide at 120℃; for 24h; Suzuki coupling; Aerobic conditions; | 51% |
di-tert-butyl dicarbonate
1-bromo-2,3-dichlorobenzene
tert-butyl 2,3-dichlorobenzoate
Conditions | Yield |
---|---|
Stage #1: 1-bromo-2,3-dichlorobenzene With n-butyllithium; butyl magnesium bromide In tetrahydrofuran; hexane; toluene at -10℃; Stage #2: di-tert-butyl dicarbonate In tetrahydrofuran; hexane; toluene at -10℃; Stage #3: With citric acid In tetrahydrofuran; hexane; toluene Further stages.; | 80% |
Stage #1: 1-bromo-2,3-dichlorobenzene With n-butyllithium; butyl magnesium bromide In tetrahydrofuran; hexane; toluene at -10℃; for 1h; Inert atmosphere; Stage #2: di-tert-butyl dicarbonate In tetrahydrofuran; hexane; toluene at -10℃; for 2h; Inert atmosphere; | 80% |
Conditions | Yield |
---|---|
With 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; bis(dibenzylideneacetone)-palladium(0); sodium t-butanolate In toluene at 110℃; for 1h; | 80% |
Conditions | Yield |
---|---|
With 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; bis(dibenzylideneacetone)-palladium(0); sodium t-butanolate In toluene at 110℃; for 1h; Inert atmosphere; | 80% |
With 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; bis(dibenzylideneacetone)-palladium(0); sodium t-butanolate In toluene at 110℃; for 1h; Inert atmosphere; | 80% |
Conditions | Yield |
---|---|
With bis(tri-t-butylphosphine)palladium(0); sodium t-butanolate In 5,5-dimethyl-1,3-cyclohexadiene for 12h; | 77% |
Conditions | Yield |
---|---|
Stage #1: piperazine; 1-bromo-2,3-dichlorobenzene With 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; 1,8-diazabicyclo[5.4.0]undec-7-ene; sodium t-butanolate; tris-(dibenzylideneacetone)dipalladium(0) In toluene at 60 - 70℃; Inert atmosphere; Stage #2: di-tert-butyl dicarbonate In dichloromethane; toluene at 20℃; | 76% |
C13H12NO2(1+)*Cl(1-)
1-bromo-2,3-dichlorobenzene
Conditions | Yield |
---|---|
Stage #1: 1-bromo-2,3-dichlorobenzene With isopropylmagnesium bromide In tetrahydrofuran at -30 - -20℃; Stage #2: C13H12NO2(1+)*Cl(1-) at 0 - 20℃; | 76% |
Conditions | Yield |
---|---|
With tris-(dibenzylideneacetone)dipalladium(0); 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; sodium t-butanolate In toluene at 100℃; for 72h; Inert atmosphere; chemoselective reaction; | 76% |
With bis(tri-t-butylphosphine)palladium(0); sodium t-butanolate In toluene for 6h; Reflux; Inert atmosphere; | 75% |
With bis(tri-t-butylphosphine)palladium(0); sodium t-butanolate In toluene for 6h; Inert atmosphere; Reflux; | 75% |
With tris-(dibenzylideneacetone)dipalladium(0); 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; sodium t-butanolate In toluene at 100℃; for 26h; Buchwald-Hartwig Coupling; Inert atmosphere; | 63% |
Stage #1: 1-bromo-2,3-dichlorobenzene With sodium t-butanolate In toluene for 1h; Reflux; Stage #2: aniline With tris-(dibenzylideneacetone)dipalladium(0); 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl In toluene Heating; | 50% |
1-bromo-2,3-dichlorobenzene
diphenylamine
Conditions | Yield |
---|---|
With bis(tri-t-butylphosphine)palladium(0); sodium t-butanolate In toluene for 3h; Reflux; | 75.8% |
With dichloro bis((p-dimethylaminophenyl)-ϖ-di-tert-butylphosphine)palladium(II); potassium tert-butylate In o-xylene at 80 - 120℃; for 5h; | 66% |
With sodium t-butanolate In 5,5-dimethyl-1,3-cyclohexadiene at 80 - 120℃; for 5h; Inert atmosphere; | 65 g |
With bis(di-tert-butyl(4-dimethylaminophenyl)phosphine)dichloropalladium(II); sodium t-butanolate In 5,5-dimethyl-1,3-cyclohexadiene at 80 - 120℃; for 5h; | 65 g |
1-bromo-2,3-dichlorobenzene
Conditions | Yield |
---|---|
Stage #1: [1,4]diazepine-1-carboxylic acid tert-butyl ester; 1-bromo-2,3-dichlorobenzene With 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; sodium t-butanolate; tris-(dibenzylideneacetone)dipalladium(0) In toluene for 8h; Heating / reflux; Stage #2: With hydrogenchloride In ethyl acetate at 10℃; | 75% |
bis(4-tert-butylphenyl)amine
1-bromo-2,3-dichlorobenzene
Conditions | Yield |
---|---|
With tris-(dibenzylideneacetone)dipalladium(0); tri-tert-butyl phosphine; potassium tert-butylate In toluene at 90℃; for 5h; Inert atmosphere; | 75% |
Conditions | Yield |
---|---|
With tri-tert-butyl phosphine; palladium diacetate; sodium t-butanolate In toluene for 5h; Reflux; | 75% |
4,7-diaza-spiro[2,5]octane-4-carboxylic acid tert-butyl ester
1-bromo-2,3-dichlorobenzene
Conditions | Yield |
---|---|
With tris-(dibenzylideneacetone)dipalladium(0); 4,5-bis(diphenylphosphino)-9,9-dimethylxanthene; sodium t-butanolate In toluene at 90℃; Inert atmosphere; | 74% |
Conditions | Yield |
---|---|
With tris-(dibenzylideneacetone)dipalladium(0); sodium t-butanolate In toluene at 90℃; for 10h; | 73% |
Conditions | Yield |
---|---|
With palladium diacetate; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; sodium t-butanolate In toluene for 24h; Reflux; | 71.2% |
1,4-Diazacycloheptane
di-tert-butyl dicarbonate
1-bromo-2,3-dichlorobenzene
tert-butyl 4-(2,3-dichlorophenyl)-1,4-diazepane-1-carboxylate
Conditions | Yield |
---|---|
Stage #1: 1,4-Diazacycloheptane; 1-bromo-2,3-dichlorobenzene With 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl; 1,8-diazabicyclo[5.4.0]undec-7-ene; sodium t-butanolate; tris-(dibenzylideneacetone)dipalladium(0) In toluene at 60 - 70℃; Inert atmosphere; Stage #2: di-tert-butyl dicarbonate In dichloromethane; toluene at 20℃; | 70% |
Stage #1: 1,4-Diazacycloheptane; 1-bromo-2,3-dichlorobenzene With tris-(dibenzylideneacetone)dipalladium(0); potassium tert-butylate; 2,2'-bis-(diphenylphosphino)-1,1'-binaphthyl In toluene at 80℃; for 24h; Inert atmosphere; Stage #2: di-tert-butyl dicarbonate In toluene at 20℃; for 2h; Inert atmosphere; |
Conditions | Yield |
---|---|
With bis(di-tert-butyl(4-dimethylaminophenyl)phosphine)dichloropalladium(II); potassium tert-butylate at 80 - 120℃; for 5h; | 68% |
Conditions | Yield |
---|---|
With tris-(dibenzylideneacetone)dipalladium(0); sodium t-butanolate at 130℃; Inert atmosphere; | 66.2% |
Molecular Structure of 1-Bromo-2,3-dichlorobenzene (CAS NO.56961-77-4):
IUPAC Name: 1-bromo-2,3-dichlorobenzene
Empirical Formula: C6H3BrCl2
Molecular Weight: 225.898
InChI
InChI=1/C6H3BrCl2/c7-4-2-1-3-5(8)6(4)9/h1-3H
Smiles
c1(c(cccc1Br)Cl)Cl
H bond acceptors: 0
H bond donors: 0
Freely Rotating Bonds: 0
Polar Surface Area: 0 Å2
Index of Refraction: 1.59
Molar Refractivity: 43.73 cm3
Molar Volume: 129.5 cm3
Surface Tension: 41.8 dyne/cm
Density: 1.744 g/cm3
Flash Point: 108.7 °C
Enthalpy of Vaporization: 45.9 kJ/mol
Boiling Point: 241.5 °C at 760 mmHg
Vapour Pressure: 0.0556 mmHg at 25°C
CAS Registry Number: 56961-77-4
EINECS: 260-476-2
Melting point: 58-61 ºC
Water solubility: insoluble
Product Categories: Aromatic Hydrocarbons (substituted) & Derivatives; Bromine Compounds; Chlorine Compounds; Aryl; C6; Halogenated Hydrocarbons
Hazard Codes: Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-37/39-28
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S37/39:Wear suitable gloves and eye/face protection.
S28:After contact with skin, wash immediately with plenty of soap-suds.
WGK Germany: 3
1-Bromo-2,3-dichlorobenzene , with CAS number of 56961-77-4, can be called 2,3-Dichlorobromobenzene ; 2,3-dichloro-1-bromobenzene ; 1-bromo-2,3-dichlorobenzene ; benzene, 1-bromo-2,3-dichloro- ; 1-bromo-2,3-dichlorobenzene,>98% ; 1-bromo-2,3-dichlorobenzene 98% ; 1,2-Dichloro-3-bromobenzene ; 1-Bromo-2,3-dichlorobenzene,99% . It is a light yellow crystalline flake.
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