Conditions | Yield |
---|---|
In dimethyl sulfoxide at 110℃; for 4h; | 98% |
With triethylamine In dimethyl sulfoxide at 20℃; for 43h; | |
With potassium carbonate In dimethyl sulfoxide at 50℃; | |
With potassium carbonate In dimethyl sulfoxide at 50℃; |
Conditions | Yield |
---|---|
In ethanol at 20℃; for 10h; Solvent; Temperature; Time; | 90% |
Conditions | Yield |
---|---|
Stage #1: aniline With n-butyllithium In tetrahydrofuran; hexane at -78℃; for 0.0166667h; Inert atmosphere; Stage #2: 4-chlorobenzonitrile In tetrahydrofuran; hexane at -78 - 110℃; for 0.166667h; Inert atmosphere; Stage #3: With potassium permanganate; ammonia In tetrahydrofuran; hexane at -78℃; for 0.0833333h; Inert atmosphere; | 49% |
sodium acetate
3,4-dinitro-chlorobenzene
aniline
5-chloro-2-nitro-N-phenylaniline
3,4-dinitro-chlorobenzene
aniline
A
5-chloro-2-nitro-N-phenylaniline
B
aniline yellow
Conditions | Yield |
---|---|
anschl. mit HCl; |
3,4-dinitro-chlorobenzene
aniline
A
5-chloro-2-nitro-N-phenylaniline
B
Phenyl azide
Conditions | Yield |
---|---|
With sodium acetate |
3,4-dinitro-chlorobenzene
5-chloro-2-nitro-N-phenylaniline
Conditions | Yield |
---|---|
With aniline In ethanol | |
With aniline In ethanol |
5-chloro-2-nitro-N-phenylaniline
trimethyl orthoformate
6-chloro-1-phenyl-1H-benzimidazole
Conditions | Yield |
---|---|
With hydrogen; pyridinium p-toluenesulfonate; palladium on activated charcoal In ethyl acetate at 20℃; under 2585.74 Torr; for 6h; | 100% |
5-chloro-2-nitro-N-phenylaniline
4-chloro-N2-phenylbenzene-1,2-diamine
Conditions | Yield |
---|---|
With hydrogen; platinum In methanol at 75 - 80℃; for 1.5h; Reagent/catalyst; Temperature; Solvent; Autoclave; | 99.2% |
With hydrogen In tetrahydrofuran; water at 120℃; under 37503.8 Torr; for 15h; chemoselective reaction; | 94% |
With ammonium chloride; zinc In methanol; water at 25 - 60℃; | 84% |
5-chloro-2-nitro-N-phenylaniline
1-Bromo-2-butyne
But-2-ynyl-(5-chloro-2-nitro-phenyl)-phenyl-amine
Conditions | Yield |
---|---|
With sodium hydroxide; benzyltriethylammonium bromide In benzene for 4h; Heating; | 96% |
3-chloro-3-oxopropanoic acid methyl ester
5-chloro-2-nitro-N-phenylaniline
Conditions | Yield |
---|---|
Stage #1: 3-chloro-3-oxopropanoic acid methyl ester; 5-chloro-2-nitro-N-phenylaniline With triethylamine In toluene at 60 - 70℃; for 8h; Industrial scale; Stage #2: In acetonitrile at 20℃; Reflux; Industrial scale; | 95.2% |
5-chloro-2-nitro-N-phenylaniline
ethyl chlorocarbonylacetate
ethyl 2-(N-(5-chloro-2-nitrophenyl)-N-phenylamino)formylacetate
Conditions | Yield |
---|---|
In acetonitrile for 12h; Reflux; Large scale; | 91% |
With 4-pyrrolidin-1-ylpyridine In acetonitrile at 80℃; |
carbon monoxide
5-chloro-2-nitro-N-phenylaniline
A
4-chloro-N2-phenylbenzene-1,2-diamine
B
6-chloro-1,3-dihydro-1-phenyl-2H-benzimidazol-2-one
Conditions | Yield |
---|---|
With dodecacarbonyl-triangulo-triruthenium; sodium chloride In acetonitrile at 220℃; under 37503 Torr; for 2h; | A 10% B 90% |
5-chloro-2-nitro-N-phenylaniline
N-butylamine
4-butylamino-2-(phenylamino)nitrobenzene
Conditions | Yield |
---|---|
With potassium carbonate; potassium bromide at 100℃; | 84% |
hydrogen ethyl malonate
5-chloro-2-nitro-N-phenylaniline
ethyl 2-(N-(5-chloro-2-nitrophenyl)-N-phenylamino)formylacetate
Conditions | Yield |
---|---|
With phosphorus pentachloride at 20℃; Reagent/catalyst; Reflux; | 80% |
With phosphorus pentachloride; sodium carbonate In xylene-petroleum ether; benzene |
5-chloro-2-nitro-N-phenylaniline
propargyl bromide
(5-Chloro-2-nitro-phenyl)-phenyl-prop-2-ynyl-amine
Conditions | Yield |
---|---|
With sodium hydroxide; benzyltriethylammonium bromide In benzene for 4h; Heating; | 72% |
5-chloro-2-nitro-N-phenylaniline
1-bromo-3-phenylprop-2-yne
(5-Chloro-2-nitro-phenyl)-phenyl-(3-phenyl-prop-2-ynyl)-amine
Conditions | Yield |
---|---|
With sodium hydroxide; benzyltriethylammonium bromide In benzene for 4h; Heating; | 65% |
1H-imidazole
5-chloro-2-nitro-N-phenylaniline
4-1H-imidazolyl-2-phenylaminonitrobenzene
Conditions | Yield |
---|---|
With potassium carbonate; potassium bromide at 100℃; | 58% |
5-chloro-2-nitro-N-phenylaniline
Conditions | Yield |
---|---|
With potassium nitrite; acetic acid man giesst die gelb gewordene Fluessigkeit in Wasser; |
5-chloro-2-nitro-N-phenylaniline
acetic anhydride
N-(5-chloro-2-nitro-phenyl)-N-phenyl-acetamide
Conditions | Yield |
---|---|
With zinc(II) chloride |
ethyl 2-(chlorosulfonyl)acetate
5-chloro-2-nitro-N-phenylaniline
[(5-Chloro-2-nitro-phenyl)-phenyl-sulfamoyl]-acetic acid ethyl ester
Conditions | Yield |
---|---|
In xylene Heating; |
5-chloro-2-nitro-N-phenylaniline
ethanolamine
2-(4-Nitro-3-phenylamino-phenylamino)-ethanol
Conditions | Yield |
---|---|
With potassium carbonate; potassium bromide at 100℃; |
5-chloro-2-nitro-N-phenylaniline
A
(5-ethoxy-2-nitro-phenyl)-phenyl-amine
Conditions | Yield |
---|---|
With ethanol; sodium at 120℃; und man versetzt des Reaktionsprodukts mit Wasser; |
(5-ethoxy-2-nitro-phenyl)-phenyl-amine
5-chloro-2-nitro-N-phenylaniline
Conditions | Yield |
---|---|
With ethanol; sodium at 120℃; und man versetzt des Reaktionsprodukts mit Wasser; |
5-chloro-2-nitro-N-phenylaniline
Conditions | Yield |
---|---|
With ethanol; sodium at 120℃; |
5-chloro-2-nitro-N-phenylaniline
4-Chloro-N2-phenyl-N2-prop-2-ynyl-benzene-1,2-diamine
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: 72 percent / 50percent aq. NaOH, PhCH2(Et)3N+Br- / benzene / 4 h / Heating 2: 98 percent / 37percent aq.HCl, gl.AcOH, SnCl2*2H2O, Zn / 4 h / Ambient temperature View Scheme |
5-chloro-2-nitro-N-phenylaniline
N2-But-2-ynyl-4-chloro-N2-phenyl-benzene-1,2-diamine
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: 96 percent / 50percent aq. NaOH, PhCH2(Et)3N+Br- / benzene / 4 h / Heating 2: 95 percent / 37percent aq.HCl, gl.AcOH, SnCl2*2H2O, Zn / 4 h / Ambient temperature View Scheme |
5-chloro-2-nitro-N-phenylaniline
(2-Azido-5-chloro-phenyl)-phenyl-prop-2-ynyl-amine
Conditions | Yield |
---|---|
Multi-step reaction with 3 steps 1: 72 percent / 50percent aq. NaOH, PhCH2(Et)3N+Br- / benzene / 4 h / Heating 2: 98 percent / 37percent aq.HCl, gl.AcOH, SnCl2*2H2O, Zn / 4 h / Ambient temperature 3: 1.) NaNO2, 12 M aq.HCl, 2.) NaN3 / 1.) 0 deg C, 3 min, 2.) diethyl ether, 2 h View Scheme |
This chemical is called 5-Chloro-2-nitrodiphenylamine, and its CAS registry number is 25781-92-4. With the molecular formula of C12H9ClN2O2, its molecular weight is 248.67. Additionally, this chemical should be sealed in the cool and dry place, away from oxides.
Other characteristics of the 5-Chloro-2-nitrodiphenylamine can be summarised as followings: (1)ACD/LogP: 4.35; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.35; (4)ACD/LogD (pH 7.4): 4.35; (5)ACD/BCF (pH 5.5): 1192.42; (6)ACD/BCF (pH 7.4): 1192.42; (7)ACD/KOC (pH 5.5): 5542.51; (8)ACD/KOC (pH 7.4): 5542.51; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 49.06 Å2; (13)Index of Refraction: 1.671; (14)Molar Refractivity: 67.06 cm3; (15)Molar Volume: 179.2 cm3; (16)Polarizability: 26.58×10-24cm3; (17)Surface Tension: 56.7 dyne/cm; (18)Density: 1.387 g/cm3; (19)Flash Point: 177.8 °C; (20)Enthalpy of Vaporization: 61.73 kJ/mol; (21)Boiling Point: 370.4 °C at 760 mmHg; (22)Vapour Pressure: 1.11E-05 mmHg at 25°C.
Uses of this chemical: The 5-Chloro-2-nitrodiphenylamine could react with 1H-imidazole, and obtain the 4-1H-imidazolyl-2-phenylaminonitrobenzene. This reaction needs the reagents of K2CO3. The yield is 58 %. In addition, this reaction should be taken at the temperature of 100 °C.
When you are using this chemical, please be cautious about it as the following: This chemical is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing to avoid contacting with skin and eyes. . In case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
1.SMILES: O=[N+]([O-])c1c(cc(Cl)cc1)Nc2ccccc2
2.InChI: InChI=1/C12H9ClN2O2/c13-9-6-7-12(15(16)17)11(8-9)14-10-4-2-1-3-5-10/h1-8,14H
3.InChIKey: FPKHZBVGKMTUHB-UHFFFAOYAW
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