Conditions | Yield |
---|---|
With trichlorophosphate In sulfolane; acetonitrile at 68 - 72℃; for 0.666667h; | 95% |
With trichlorophosphate; N,N-dimethyl acetamide In sulfolane; acetonitrile at 68 - 72℃; for 0.25h; | 95% |
With N,N-dimethyl-formamide; trichlorophosphate In acetonitrile at 72 - 75℃; for 2h; | 92.6% |
Conditions | Yield |
---|---|
Stage #1: 3-nitro-aniline With hydrogenchloride; acetic acid Stage #2: With sodium nitrite In water at -10 - -5℃; for 0.75h; Stage #3: With hydrogenchloride; sulfur dioxide; acetic acid; copper(l) chloride In water at 10℃; for 0.5h; | 86% |
Stage #1: 3-nitro-aniline With hydrogenchloride In water at 30 - 50℃; for 1h; Sandmeyer reaction; Stage #2: With sodium nitrite In water at -5 - 0℃; for 0.916667h; Sandmeyer reaction; Stage #3: With thionyl chloride; water; copper(l) chloride at -5 - 0℃; for 2.83333h; Sandmeyer reaction; | 79.8% |
Conditions | Yield |
---|---|
With chlorosulfonic acid In chloroform at 0 - 20℃; | 82.23% |
With chlorosulfonic acid at 40 - 140℃; for 40.5h; | 56% |
With chlorosulfonic acid at 110 - 130℃; | 9% |
Conditions | Yield |
---|---|
With thionyl chloride; tris(bipyridine)ruthenium(II) dichloride hexahydrate In water; acetonitrile at 20℃; for 20h; Sealed tube; Irradiation; | 64% |
Conditions | Yield |
---|---|
With chlorosulfonic acid at 60℃; und schliesslich auf 180grad; |
Conditions | Yield |
---|---|
With sulfur dioxide; copper(l) chloride |
Conditions | Yield |
---|---|
With sulfuric acid; nitric acid |
Conditions | Yield |
---|---|
With phosphorus pentachloride |
Conditions | Yield |
---|---|
With chlorosulfonic acid at 25℃; Rate constant; E(activ.), var. temperatures; |
3-nitrobenzenesulphonyl chloride
Conditions | Yield |
---|---|
With water; chlorine |
(2S)-2-[(1S)-3,3-dimethyl(2,4-dioxolanyl)]-2-hydroxyethyl 2,2-dimethylpropanoate
3-nitrobenzenesulphonyl chloride
1,2-O-isopropylidene-3-O-(m-nitrobenzenesulfonyl)-4-O-pivaloyl-L-threitol
Conditions | Yield |
---|---|
With pyridine; dmap In dichloromethane for 24h; Ambient temperature; | 100% |
With pyridine at 40℃; for 72h; | 86% |
Conditions | Yield |
---|---|
With triethylamine In toluene at -20 - -10℃; for 20h; Inert atmosphere; | 100% |
With triethylamine In dichloromethane at 4℃; for 5.5h; | 51% |
With triethylamine In dichloromethane at 0℃; for 1.25h; | 5 g |
Stage #1: oxiranyl-methanol With triethylamine In dichloromethane at 0℃; for 0.25h; Stage #2: 3-nitrobenzenesulphonyl chloride In dichloromethane at 0℃; for 1h; | 5 g |
3-nitrobenzenesulphonyl chloride
(R)-oxiranemethanol
(2s)-(+)-glycidyl 3-nitrobenzenesulfonate
Conditions | Yield |
---|---|
With triethylamine In dichloromethane at 0℃; Inert atmosphere; | 100% |
With triethylamine In dichloromethane at 0℃; | 99% |
With triethylamine at -20℃; for 96h; | 97% |
Conditions | Yield |
---|---|
With pyridine | 100% |
Conditions | Yield |
---|---|
With pyridine | 100% |
Conditions | Yield |
---|---|
With pyridine | 100% |
(2S,4S)-N-tert-butoxycarbonyl-4-hydroxyproline methyl ester
3-nitrobenzenesulphonyl chloride
(2S,4S)-1-tert-butyl 2-methyl 4-(3-nitrophenylsulfonyloxy)pyrrolidine-1,2-dicarboxylate
Conditions | Yield |
---|---|
With triethylamine In dichloromethane at 0 - 20℃; Inert atmosphere; | 100% |
With triethylamine In dichloromethane at 0 - 20℃; for 5.5h; Inert atmosphere; | 100% |
With triethylamine In dichloromethane at 0 - 20℃; for 5.5h; Inert atmosphere; | 100% |
4-HYDROXYPIPERIDINE
3-nitrobenzenesulphonyl chloride
1-((3-nitrophenyl)sulfonyl)piperidin-4-ol
Conditions | Yield |
---|---|
With triethylamine In dichloromethane at 20℃; for 1h; | 100% |
Stage #1: 4-HYDROXYPIPERIDINE With triethylamine In dichloromethane at 0℃; for 0.166667h; Stage #2: 3-nitrobenzenesulphonyl chloride In dichloromethane at 20℃; for 1h; |
3-nitrobenzenesulphonyl chloride
Conditions | Yield |
---|---|
With pyridine In dichloromethane; N,N-dimethyl-formamide at 20℃; | 100% |
Conditions | Yield |
---|---|
In 1,4-dioxane; water at 24.85℃; Kinetics; Acylation; | 99.57% |
In tetrahydrofuran; water at 24.84℃; Kinetics; Solvent; Temperature; |
3-nitrobenzenesulphonyl chloride
sodium 3-nitrobenzenesulfinate
Conditions | Yield |
---|---|
With hydrazine hydrate at 15 - 40℃; for 2h; pH=5; Temperature; pH-value; Large scale; | 99.2% |
With sodium carbonate; sodium sulfite In water at 80℃; for 2h; | 89% |
With sodium carbonate; sodium sulfite In water at 80℃; for 2h; | 89% |
With sodium hydrogencarbonate; sodium sulfite In water at 80℃; for 8h; | |
With sodium hydrogencarbonate; sodium sulfite In water at 80℃; for 3h; |
N-methylaniline
3-nitrobenzenesulphonyl chloride
N-(3-nitrophenylsulfonyl)-N-methylaniline
Conditions | Yield |
---|---|
In 1,4-dioxane; water at 24.84℃; Kinetics; Thermodynamic data; Temperature; | 99.1% |
With dimethyl sulfoxide In 1,4-dioxane; water at 24.84℃; Kinetics; Solvent; | 95% |
With triethylamine In dichloromethane for 2h; | 80% |
In ethanol; water at 24.84℃; Kinetics; Solvent; |
3-nitrobenzenesulphonyl chloride
Conditions | Yield |
---|---|
With N-ethyl-N,N-diisopropylamine In dichloromethane for 4h; Reflux; | 99% |
6-methylindole
3-nitrobenzenesulphonyl chloride
N-(3-nitrobenzene)sulfonyl-6-methylindole
Conditions | Yield |
---|---|
With N-benzyl-N,N,N-triethylammonium chloride; sodium hydroxide In dichloromethane at 20℃; for 1.5h; | 99% |
With N-benzyl-N,N,N-triethylammonium chloride; sodium hydroxide In dichloromethane at 40℃; Irradiation; | 88% |
With N-benzyl-N,N,N-triethylammonium chloride; sodium hydroxide In dichloromethane at 20℃; |
Conditions | Yield |
---|---|
In 1,4-dioxane; water at 24.84℃; Kinetics; Thermodynamic data; Temperature; | 98.7% |
In 1,4-dioxane; water at 24.84℃; Kinetics; Solvent; | 95% |
In water; isopropyl alcohol at 24.84℃; Kinetics; Further Variations:; Solvents; | |
In 1,4-dioxane; water at 29.84℃; Kinetics; Solvent; Temperature; |
Conditions | Yield |
---|---|
With 18-crown-6 ether In toluene at 80℃; for 0.833333h; | 98% |
descarboethoxyloratadine
3-nitrobenzenesulphonyl chloride
8-Chloro-11-(1-((3-nitrophenyl)sulfonyl)piperidin-4-ylidene)-6,11-dihydro-5H-benzo[5,6]cyclohepta-[1,2-b]pyridine
Conditions | Yield |
---|---|
Stage #1: descarboethoxyloratadine With triethylamine In dichloromethane at 0℃; for 0.166667h; Stage #2: 3-nitrobenzenesulphonyl chloride In dichloromethane for 2h; | 97% |
With triethylamine In dichloromethane at 20℃; for 6h; | 97.2% |
With triethylamine In dichloromethane at 0℃; for 2h; |
methylamine
3-nitrobenzenesulphonyl chloride
N-methyl-3-nitrobenzenesulfonamide
Conditions | Yield |
---|---|
In dichloromethane at 0 - 20℃; for 0.25h; | 97% |
In tetrahydrofuran at 20℃; for 0.5h; | 69% |
With potassium hydroxide; water |
phenethylamine
3-nitrobenzenesulphonyl chloride
3-nitro-N-(2-phenylethyl)benzenesulfonamide
Conditions | Yield |
---|---|
With triethylamine In dichloromethane at 0 - 20℃; | 97% |
With sodium carbonate In dichloromethane at 20℃; | 83% |
With 4-methyl-morpholine In dichloromethane at 0 - 20℃; Substitution; | 61% |
With sodium carbonate In dichloromethane at 20℃; | |
With sodium carbonate In dichloromethane at 20℃; |
3-nitrobenzenesulphonyl chloride
(R)-oxiranemethanol
glycidyl nosylate
Conditions | Yield |
---|---|
With triethanolamine | 97% |
With triethylamine In dichloromethane at 0℃; for 2.5h; |
difluoroethanol
3-nitrobenzenesulphonyl chloride
2,2-difluoroethyl 3-nitrobenzensulfonate
Conditions | Yield |
---|---|
With triethylamine In Isopropyl acetate at 0 - 5℃; for 4.5h; | 97% |
3-Methylindole
3-nitrobenzenesulphonyl chloride
1-(3-nitrophenylsulfonyl)-3-methyl-1H-indole
Conditions | Yield |
---|---|
With N-benzyl-N,N,N-triethylammonium chloride; sodium hydroxide In dichloromethane at 40℃; Irradiation; | 97% |
With N-benzyl-N,N,N-triethylammonium chloride; sodium hydroxide In dichloromethane at 20℃; for 1.5h; | 88% |
(3R,3aS)-3-(hydroxymethyl)-7-morpholino-3a,4-dihydrobenzo[b]oxazolo[3,4-d][1,4]oxazin-1(3H)-one
3-nitrobenzenesulphonyl chloride
[(3R,3aS)-7-morpholino-1-oxo-1,3,3a,4-tetrahydrobenzo[b]oxazolo[3,4-d][1,4]oxazin-3-yl]methyl 3-nitrobenzene-1-sulfonate
Conditions | Yield |
---|---|
With triethylamine In dichloromethane at 0 - 20℃; | 97% |
3-nitrobenzenesulphonyl chloride
Conditions | Yield |
---|---|
With triethylamine In dichloromethane at 0 - 20℃; for 2h; Inert atmosphere; | 97% |
Conditions | Yield |
---|---|
With triethylamine In dichloromethane at 20℃; | 97% |
Conditions | Yield |
---|---|
In 1,4-dioxane; water at 24.85℃; Kinetics; Acylation; | 96.46% |
In 1,4-dioxane; water at 24.84℃; Kinetics; Solvent; Temperature; |
Conditions | Yield |
---|---|
With sodium azide; tributyl methyl phsophonium chloride immobibized on polystyrene matrix In 1,2-dichloro-ethane at 45℃; for 4h; | 96% |
With sodium azide In methanol | |
With sodium azide In water; acetone |
Conditions | Yield |
---|---|
With ammonium hydroxide In tetrahydrofuran; water at 0 - 20℃; for 18h; Inert atmosphere; | 96% |
With ammonia; ammonium carbonate In water; acetonitrile at 20℃; for 1h; | 80% |
With ammonia In tetrahydrofuran; methanol at 20℃; for 24h; | 71% |
Conditions | Yield |
---|---|
With triethylamine In dichloromethane; water | 96% |
Molecule structure of 3-Nitrobenzenesulfonyl chloride (CAS NO.121-51-7):
IUPAC Name: 3-Nitrobenzenesulfonyl chloride
Molecular Weight: 221.61826 g/mol
Molecular Formula: C6H4ClNO4S
Density: 1.606 g/cm3
Melting Point: 61-62 °C(lit.)
Boiling Point: 341 °C at 760 mmHg
Flash Point: 160 °C
Index of Refraction: 1.588
Molar Refractivity: 46.43 cm3
Molar Volume: 137.9 cm3
Surface Tension: 57.1 dyne/cm
Enthalpy of Vaporization: 56.15 kJ/mol
Vapour Pressure: 0.000164 mmHg at 25 °C
Water Solubility: decomposes
Sensitive: moisture sensitive
XLogP3: 1.3
H-Bond Acceptor: 4
Rotatable Bond Count: 1
Exact Mass: 220.954956
MonoIsotopic Mass: 220.954956
Topological Polar Surface Area: 77.3
Heavy Atom Count: 13
Canonical SMILES: C1=CC(=CC(=C1)S(=O)(=O)Cl)[N+](=O)[O-]
InChI: InChI=1S/C6H4ClNO4S/c7-13(11,12)6-3-1-2-5(4-6)8(9)10/h1-4H
InChIKey: MWWNNNAOGWPTQY-UHFFFAOYSA-N
EINECS: 204-476-2
Product Categories: Intermediates of Dyes and Pigments;Benzene derivates;Organic Building Blocks;Sulfonyl Halides;Sulfur Compounds
3-Nitrobenzenesulfonyl chloride (CAS NO.121-51-7) is used as intermediate of dye and pharmaceutical.
Hazard Codes: C
Risk Statements: 34-29-14
R34:Causes burns.
R29:Contact with water liberates toxic gas.
R14 :Reacts violently with water.
Safety Statements: 26-36/37/39-45-8
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S8:Keep container dry.
RIDADR: UN 3261 8/PG 2
WGK Germany: 3
F: 21
Hazard Note: Corrosive
HazardClass: 8
PackingGroup: II
3-Nitrobenzenesulfonyl chloride (CAS NO.121-51-7) is also named as 3-Nitrophenylsulfonyl chloride ; NSC 9806 ; m-Nitrobenzenesulfonyl chloride ; m-Nitrophenylsulfonyl chloride ; 3-Nitrobenzenesulphonyl chloride ; Benzenesulfonyl chloride, 3-nitro- ; Benzenesulfonyl chloride, m-nitro- (8CI) . 3-Nitrobenzenesulfonyl chloride (CAS NO.121-51-7) is light beige to yellow crystalline powder. It is soluble in hot alcohol, insoluble in water.
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