Conditions | Yield |
---|---|
Stage #1: 2,4-Dichloroaniline With hydrogenchloride; fluoroboric acid; sodium nitrite In water at 25℃; for 0.00555556h; Balz-Schiemann Reaction; Stage #2: In 1,2-dichloro-benzene at 190℃; for 0.0166667h; Balz-Schiemann Reaction; | 93% |
Stage #1: 2,4-Dichloroaniline With sodium tetrafluoroborate; sodium nitrite acidic conditions; Stage #2: at 150 - 170℃; Schieman reaction; Further stages.; |
Conditions | Yield |
---|---|
With potassium fluoride; 5,11,17,23,29,35-hexakis(tert-butyl)-37,38,39,40,41-hexakis(hydroxy)calix[6]arene In sulfolane at 185℃; for 5h; Reagent/catalyst; Temperature; Inert atmosphere; Sealed tube; | 92% |
Conditions | Yield |
---|---|
With chlorine at 170 - 180℃; for 8h; Temperature; | 91.7% |
Multi-step reaction with 2 steps 1: titanium (III)-chloride; water 2: aqueous HCl / Diazotization.Erwaermen der Diazoniumsalz-Loesung mit CuCl View Scheme |
2,4-dichloroaniline hydrochloride
1,3-dichloro-4-fluorobenzene
Conditions | Yield |
---|---|
Stage #1: 2,4-dichloroaniline hydrochloride With hydrogenchloride at -5℃; Stage #2: With tetrafluoroboric acid; sodium nitrite In water at 0℃; for 0.0833333h; | 50.1% |
Conditions | Yield |
---|---|
With hydrogenchloride Diazotization.Erwaermen der Diazoniumsalz-Loesung mit CuCl; |
Conditions | Yield |
---|---|
With chlorine at 200℃; |
2,3-dichlorofluorobenzene
A
3,4-dichlorofluorobenzene
B
3-chlorofluorobenzene
C
1,4-dichloro-2-fluorobenzene
D
1,3-dichloro-4-fluorobenzene
Conditions | Yield |
---|---|
In acetonitrile for 10h; Product distribution; Irradiation; | A 5 % Chromat. B 5 % Chromat. C 13 % Chromat. D 1 % Chromat. |
2,4-dichlorophenylboronic acid
1,3-dichloro-4-fluorobenzene
Conditions | Yield |
---|---|
With cesium fluoroxysulphate In methanol at -10℃; for 24h; | 28 % Spectr. |
1,3-dichloro-4-fluorobenzene
Conditions | Yield |
---|---|
With meta-dinitrobenzene; cesium fluoroxysulphate In acetonitrile Ambient temperature; | 40 % Spectr. |
fluorobenzene
A
3,4-dichlorofluorobenzene
B
1-Chloro-4-fluorobenzene
C
1,3-dichloro-4-fluorobenzene
Conditions | Yield |
---|---|
Einleiten von 2 Mol Chlor; |
1,3-dichloro-4-fluorobenzene
Conditions | Yield |
---|---|
Thermolysis; |
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: iron-powder / Einleiten von Chlor 2: titanium (III)-chloride; water 3: aqueous HCl / Diazotization.Erwaermen der Diazoniumsalz-Loesung mit CuCl View Scheme |
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1.1: nitric acid; sulfuric acid / 2 h / 95 - 100 °C 2.1: potassium fluoride / 3 h / 140 - 150 °C 2.2: 7 h / 165 - 170 °C 3.1: chlorine / 8 h / 170 - 180 °C View Scheme |
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1.1: potassium fluoride / 3 h / 140 - 150 °C 1.2: 7 h / 165 - 170 °C 2.1: chlorine / 8 h / 170 - 180 °C View Scheme |
Conditions | Yield |
---|---|
Stage #1: C13H4Cl4F2O With sodium hydroxide at 90 - 100℃; for 1h; Stage #2: In 1,4-dioxane at 110 - 150℃; for 3h; |
1,3-dichloro-4-fluorobenzene
Conditions | Yield |
---|---|
With sodium hydroxide at 140 - 150℃; Temperature; |
Conditions | Yield |
---|---|
With sulfuric acid; nitric acid at 50℃; for 2h; Temperature; | 99.3% |
With sulfuric acid; nitric acid at 50 - 60℃; for 3h; | 98% |
With sulfuric acid; potassium nitrate at 0 - 20℃; for 12h; | 97% |
With sulfuric acid; nitric acid | |
With sulfuric acid; sulfur trioxide; nitric acid |
1,3-dichloro-4-fluorobenzene
Conditions | Yield |
---|---|
Stage #1: 1,3-dichloro-4-fluorobenzene With n-butyllithium In tetrahydrofuran at -78℃; for 1.5h; Inert atmosphere; Stage #2: With sulfur In tetrahydrofuran at -78℃; for 2h; Inert atmosphere; | 99% |
carbon dioxide
1,3-dichloro-4-fluorobenzene
2,4-dichloro-5-fluorobenzoyl chloride
Conditions | Yield |
---|---|
With Cationic resin catalyst In tetrachloromethane at 40 - 60℃; under 15001.5 Torr; for 5h; Pressure; Temperature; Reagent/catalyst; | 98.8% |
Conditions | Yield |
---|---|
With aluminum (III) chloride at 40℃; for 4h; Temperature; | 95.2% |
With phosphotungstic acid supported on magnetic ZrO2 for 0.5h; Autoclave; Reflux; | 94% |
1,3-dichloro-4-fluorobenzene
bis(pinacol)diborane
Conditions | Yield |
---|---|
With (1,5-cyclooctadiene)(methoxy)iridium(I) dimer; 4,4'-di-tert-butyl-2,2'-bipyridine In tetrahydrofuran at 80℃; for 6h; Inert atmosphere; | 94% |
With (1,5-cyclooctadiene)(methoxy)iridium(I) dimer; 4,4'-di-tert-butyl-2,2'-bipyridine In tetrahydrofuran at 80℃; for 18h; Inert atmosphere; | |
With (1,5-cyclooctadiene)(methoxy)iridium(l) dimer; 4,4'-di-tert-butyl-2,2'-bipyridine In tetrahydrofuran at 80℃; for 24h; Inert atmosphere; |
Conditions | Yield |
---|---|
With 2,3-dicyano-5,6-dichloro-p-benzoquinone In 2,2,2-trifluoroethanol; 1,2-dichloro-ethane at 40℃; for 48h; Reagent/catalyst; Solvent; Irradiation; | 94% |
4-(3-((4-chloro-7-methoxyquinazolin-6-yl)oxy)propyl)morpholine
1,3-dichloro-4-fluorobenzene
gefitinib
Conditions | Yield |
---|---|
With potassium carbonate; potassium iodide In N,N-dimethyl-formamide Reflux; | 91% |
1,3-dichloro-4-fluorobenzene
acetyl chloride
2,4-dichloro-5-fluoroacetophenone
Conditions | Yield |
---|---|
With aluminum (III) chloride at 110℃; Reagent/catalyst; Temperature; | 89.3% |
With aluminum (III) chloride Friedel Crafts acylation; | 52% |
With aluminum (III) chloride at 30 - 120℃; Product distribution / selectivity; | |
aluminum (III) chloride |
1,3-dichloro-4-fluorobenzene
isopropyl alcohol
2,4-dichloro-1-isopropoxybenzene
Conditions | Yield |
---|---|
With 2,3-dicyano-5,6-dichloro-p-benzoquinone In 2,2,2-trifluoroethanol; 1,2-dichloro-ethane at 40℃; for 48h; Irradiation; | 89% |
Conditions | Yield |
---|---|
With 2,3-dicyano-5,6-dichloro-p-benzoquinone In 2,2,2-trifluoroethanol; 1,2-dichloro-ethane at 40℃; for 48h; Irradiation; | 87% |
Conditions | Yield |
---|---|
With 2,3-dicyano-5,6-dichloro-p-benzoquinone In 2,2,2-trifluoroethanol; 1,2-dichloro-ethane at 40℃; for 48h; Irradiation; | 87% |
Conditions | Yield |
---|---|
With potassium pivalate; palladium dichloride In N,N-dimethyl acetamide at 150℃; for 16h; regioselective reaction; | 86% |
tetrachloromethane
1,3-dichloro-4-fluorobenzene
2,4-dichloro-5-fluorobenzoyl chloride
Conditions | Yield |
---|---|
Stage #1: tetrachloromethane; 1,3-dichloro-4-fluorobenzene for 0.5h; Autoclave; Reflux; Stage #2: With water at 20 - 40℃; for 1h; Reagent/catalyst; | 86% |
Conditions | Yield |
---|---|
Stage #1: 1,3-dichloro-4-fluorobenzene With n-butyllithium In tetrahydrofuran at -78℃; for 1h; Inert atmosphere; Stage #2: Methyl formate In tetrahydrofuran at 10 - 15℃; for 16h; Inert atmosphere; | 85.49% |
Stage #1: 1,3-dichloro-4-fluorobenzene With n-butyllithium In tetrahydrofuran; hexanes at -78 - -70℃; for 2h; Inert atmosphere; Stage #2: Methyl formate In tetrahydrofuran; hexanes at -78℃; Inert atmosphere; Stage #3: With water; ammonium chloride In tetrahydrofuran; hexanes at 20℃; Inert atmosphere; | |
Stage #1: 1,3-dichloro-4-fluorobenzene With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 1.5h; Inert atmosphere; Stage #2: Methyl formate In tetrahydrofuran; hexane at -78 - 20℃; Inert atmosphere; Stage #3: With ammonium chloride In tetrahydrofuran; hexane; water |
3,5-dimethoxyphenol
1,3-dichloro-4-fluorobenzene
2,4-dichloro-1-(3,5-dimethoxyphenoxy)benzene
Conditions | Yield |
---|---|
Stage #1: 3,5-dimethoxyphenol With caesium carbonate In 1-methyl-pyrrolidin-2-one at 50℃; for 0.5h; Inert atmosphere; Stage #2: 1,3-dichloro-4-fluorobenzene In 1-methyl-pyrrolidin-2-one at 120℃; for 2h; Inert atmosphere; | 84% |
1,3-dichloro-4-fluorobenzene
1-(Trimethylsilyl)imidazole
A
trimethylsilyl fluoride
B
1-(2,4-dichlorophenyl)-1H-imidazole
Conditions | Yield |
---|---|
With cesium fluoride In N,N-dimethyl-formamide at 60℃; for 20h; Inert atmosphere; | A n/a B 80% |
ethyl acetohydroximate
1,3-dichloro-4-fluorobenzene
Conditions | Yield |
---|---|
With potassium tert-butylate In N,N-dimethyl-formamide 1.) r.t., 30 min, 2.) 80 deg C, 1.5 h; | 77.8% |
Conditions | Yield |
---|---|
at 40℃; for 2h; Temperature; | A 76.6% B 22.6% |
With iron(III) chloride at 70℃; for 2h; | A 75.1% B 20.3% |
With aluminum (III) chloride at 40℃; for 8h; | A 3.2 g B 13.5 g |
With aluminum (III) chloride at 40℃; for 8h; |
Conditions | Yield |
---|---|
Stage #1: 1,3-dichloro-4-fluorobenzene With n-butyllithium In tetrahydrofuran at -78℃; for 1h; Inert atmosphere; Stage #2: oxirane In tetrahydrofuran at -78℃; for 2h; Inert atmosphere; | 75% |
Stage #1: 1,3-dichloro-4-fluorobenzene With n-butyllithium In tetrahydrofuran at -78℃; for 1h; Stage #2: oxirane In tetrahydrofuran at -78℃; for 2h; | 75% |
Conditions | Yield |
---|---|
With potassium pivalate; palladium dichloride In N,N-dimethyl acetamide at 150℃; for 16h; regioselective reaction; | A 72% B n/a C n/a |
(R)-4-(benzyl-methyl-amino)-1-tert-butoxy-butan-2-ol
1,3-dichloro-4-fluorobenzene
(R)-benzyl-[4-tert-butoxy-3-(2,4-dichloro-phenoxy)-butyl]-methyl amine
Conditions | Yield |
---|---|
Stage #1: (R)-4-(benzyl-methyl-amino)-1-tert-butoxy-butan-2-ol With sodium hydride In dimethyl sulfoxide for 0.5h; Stage #2: 1,3-dichloro-4-fluorobenzene In dimethyl sulfoxide | 71% |
1,3-dichloro-4-fluorobenzene
1-(Trimethylsilyl)imidazole
1-(2,4-dichlorophenyl)-1H-imidazole
Conditions | Yield |
---|---|
With copper(l) iodide In methanol; N,N-dimethyl-formamide at 100℃; Inert atmosphere; | 70% |
1,3-dichloro-4-fluorobenzene
2,4-dichloro-5-fluoro-benzoic acid
Conditions | Yield |
---|---|
66% | |
Multi-step reaction with 3 steps 1: 2 h / 40 °C 2: iron(III) chloride; water / 90 °C 3: potassium perchlorate / N,N-dimethyl-formamide / Reflux View Scheme |
Conditions | Yield |
---|---|
With potassium pivalate; palladium dichloride In N,N-dimethyl acetamide at 150℃; for 16h; regioselective reaction; | A n/a B n/a C 66% |
Conditions | Yield |
---|---|
With potassium pivalate; palladium dichloride In N,N-dimethyl acetamide at 150℃; for 16h; regioselective reaction; | A n/a B n/a C 66% |
Conditions | Yield |
---|---|
With 2,3-dicyano-5,6-dichloro-p-benzoquinone In 2,2,2-trifluoroethanol; 1,2-dichloro-ethane at 40℃; for 48h; Irradiation; | 64% |
1,3-dichloro-4-fluorobenzene
Conditions | Yield |
---|---|
With chlorosulfonic acid at 100℃; for 12h; | 63% |
The 1,3-Dichloro-4-fluorobenzene, with the CAS registry number 1435-48-9, is also known as 1,3-Dichloro-4-fluorobenzene. It belongs to the product categories of Aromatic Hydrocarbons (substituted) & Derivatives; Fluorobenzene; Chlorine Compounds; Fluorine Compounds; Aryl; C6; Halogenated Hydrocarbons. Its EINECS number is 406-160-1. This chemical's molecular formula is C6H3Cl2F and formula weight is 164.99. What's more, its IUPAC name is 2,4-dichloro-1-fluorobenzene. It is a Clear colourless to yellow liquid.
Physical properties of 1,3-Dichloro-4-fluorobenzene are:
(1)ACD/LogP: 3.643; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.64; (4)ACD/LogD (pH 7.4): 3.64; (5)ACD/BCF (pH 5.5): 345.61; (6)ACD/BCF (pH 7.4): 345.61; (7)ACD/KOC (pH 5.5): 2284.13; (8)ACD/KOC (pH 7.4): 2284.13; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Index of Refraction: 1.525; (13)Molar Refractivity: 36.037 cm3; (14)Molar Volume: 117.545 cm3; (15)Surface Tension: 35.1139984130859 dyne/cm; (16)Density: 1.404 g/cm3; (17)Flash Point: 36.667 °C; (18)Enthalpy of Vaporization: 39.746 kJ/mol; (19)Boiling Point: 178.176 °C at 760 mmHg; (20)Vapour Pressure: 1.35300004482269 mmHg at 25°C.
Uses of 1,3-Dichloro-4-fluorobenzene:
it can be used to produce N-(2,4-dichloro-phenoxy)-acetimidic acid ethyl ester at the temperature of 80°C. It will need reagent t-BuOK and solvent dimethylformamide with the reaction time of 1.5 hours. The yield is about 77.8%.
Safety information of 1,3-Dichloro-4-fluorobenzene:
When you are using this chemical, please be cautious about it as the following:It is harmful if swallowed. It can cause danger of serious damage to health by prolonged exposure through inhalation and if swallowed. It is toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. It is flammable and is irritating to eyes, respiratory system and skin. When using it, you must wear suitable protective clothing and gloves. It should be avoided release to the environment refering to special instructions/safety data sheet. You need keep it away from sources of ignition - No smoking. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C1=CC(=C(C=C1Cl)Cl)F
(2)InChI: InChI=1S/C6H3Cl2F/c7-4-1-2-6(9)5(8)3-4/h1-3H
(3)InChIKey: BDJZCCWUSOZUQG-UHFFFAOYSA-N
About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia
Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog
©2008 LookChem.com,License: ICP
NO.:Zhejiang16009103
complaints:service@lookchem.com Desktop View