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| CAS No.: | 16133-25-8 |
|---|---|
| Name: | PYRIDINE-3-SULFONYL CHLORIDE HYDROCHLORIDE |
| Molecular Structure: | |
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| Formula: | C5H4ClNO2S |
| Molecular Weight: | 177.611 |
| Synonyms: | chloro-3-pyridylsulfone;Pyridine-3-sulfonyl chloride; |
| EINECS: | -0 |
| Density: | 1.489 g/cm3 |
| Melting Point: | 144 °C |
| Boiling Point: | 284.162 °C at 760 mmHg |
| Flash Point: | 125.657 °C |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 34 |
| Safety: | 26-36/37/39 |
| Transport Information: | UN 3261 |
| PSA: | 55.41000 |
| LogP: | 2.08990 |
3-pyridinesulfonic acid
Pyridine-3-sulfonyl chloride
| Conditions | Yield |
|---|---|
| With phosphorus pentachloride In trichlorophosphate at 120℃; for 12h; | 98% |
| With phosphorus pentachloride; trichlorophosphate for 3h; Heating / reflux; | 94% |
| With phosphorus pentachloride In toluene Heating; | 92% |
pyridine-3-sulfonyl chloride hydrochloride
Pyridine-3-sulfonyl chloride
| Conditions | Yield |
|---|---|
| In chlorobenzene at 85℃; under 172.517 Torr; | 92.9% |
| With sodium hydrogencarbonate In dichloromethane; water |
pyridin-3-ylamine
Pyridine-3-sulfonyl chloride
| Conditions | Yield |
|---|---|
| Stage #1: pyridin-3-ylamine With hydrogenchloride; sodium nitrite In water at -5 - 0℃; Large scale; Green chemistry; Stage #2: With thionyl chloride; sulphurous acid; copper(l) chloride In water at 0 - 4℃; for 1.5h; Concentration; Reagent/catalyst; Large scale; Green chemistry; | 91% |
| Stage #1: pyridin-3-ylamine With hydrogenchloride; sodium tetrafluoroborate; sodium nitrite In water at 0 - 5℃; Stage #2: With thionyl chloride; copper(l) chloride In water at 0 - 5℃; | 90.7% |
| Stage #1: pyridin-3-ylamine With hydrogenchloride; sodium nitrite In water at -20℃; for 2h; Stage #2: With copper(II) choride dihydrate; sulfur dioxide In dichloromethane; water at -5 - 0℃; for 1h; | 52.1% |
| Stage #1: pyridin-3-ylamine With hydrogenchloride In water at 30℃; 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; | 38.4% |
pyridine-3-thiol
Pyridine-3-sulfonyl chloride
| Conditions | Yield |
|---|---|
| With chlorine In water; acetic acid at 15 - 17℃; for 0.5h; | 81% |
3-Bromopyridine
Pyridine-3-sulfonyl chloride
| Conditions | Yield |
|---|---|
| Stage #1: 3-Bromopyridine With isopropylmagnesium chloride In tetrahydrofuran at 20℃; for 0.5h; Stage #2: With sulfur dioxide In tetrahydrofuran at -40℃; for 0.5h; Stage #3: With sulfuryl dichloride In tetrahydrofuran at -40 - 20℃; | |
| Stage #1: 3-Bromopyridine With isopropylmagnesium chloride In tetrahydrofuran at 10℃; Inert atmosphere; Stage #2: With sulfuryl dichloride In tetrahydrofuran; toluene at -10 - 10℃; | |
| Stage #1: 3-Bromopyridine With isopropylmagnesium chloride In tetrahydrofuran at 20℃; for 0.583333h; Inert atmosphere; Stage #2: With 1,4-diazabicyclo [2.2.2] octane-1,4-diium-1,4-disulfinate In tetrahydrofuran at -40℃; for 1h; Inert atmosphere; Stage #3: With sulfuryl dichloride In tetrahydrofuran at -40 - 20℃; Inert atmosphere; |
pyridine
Pyridine-3-sulfonyl chloride
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: fuming H2SO4; HgSO4 / 230 °C 2: PCl5 / 120 °C View Scheme | |
| Multi-step reaction with 2 steps 1: fuming H2SO4; HgSO4 / 300 °C 2: PCl5 / 120 °C View Scheme |
| Conditions | Yield |
|---|---|
| With phosphorus pentachloride; triethylamine In (2S)-N-methyl-1-phenylpropan-2-amine hydrate; toluene |
3-pyridinesulfonic acid
phosphorus pentachloride
Pyridine-3-sulfonyl chloride
| Conditions | Yield |
|---|---|
| With hydrogenchloride; trichlorophosphate In chloroform |
3-pyridinesulfonic acid
A
Pyridine-3-sulfonyl chloride
| Conditions | Yield |
|---|---|
| With phosphorus pentachloride In toluene | A 30.7 g (92%) B n/a |
3,4-dihydro-2H-pyran
4-Aminobutanol
A
Pyridine-3-sulfonyl chloride
B
N-(4-(2-tetrahydropyranyloxy)butyl)pyridine-3-sulfonamide
| Conditions | Yield |
|---|---|
| With p-toluenesulfonic acid monohydrate; triethylamine In dichloromethane; chloroform; ethyl acetate |
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The 3-Pyridinesulfonyl chloride hydrochloride is an organic compound with the formula C5H4ClNO2S. The IUPAC name of this chemical is Pyridine-3-sulfonyl chloride. With the CAS registry number 16133-25-8, it is also named as 3-Chlorosulfonyl-pyridinium, chloride. Besides, its molecular weight is 177.61.
Physical properties about 3-Pyridinesulfonyl chloride hydrochloride: (1)ACD/LogP: 0.50; (2)ACD/LogD (pH 5.5): 0.5; (3)ACD/LogD (pH 7.4): 0.5; (4)ACD/BCF (pH 5.5): 1.4; (5)ACD/BCF (pH 7.4): 1.4; (6)ACD/KOC (pH 5.5): 44.29; (7)ACD/KOC (pH 7.4): 44.29; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 1; (10)Polar Surface Area: 55.41 Å2; (11)Index of Refraction: 1.553; (12)Molar Refractivity: 38.19 cm3; (13)Molar Volume: 119.3 cm3; (14)Polarizability: 15.14×10-24 cm3; (15)Surface Tension: 50.2 dyne/cm; (16)Density: 1.488 g/cm3; (17)Flash Point: 125.7 °C; (18)Enthalpy of Vaporization: 50.21 kJ/mol; (19)Boiling Point: 284.2 °C at 760 mmHg; (20)Vapour Pressure: 0.00519 mmHg at 25 °C.
When you are using this chemical, please be cautious about it as the following:
It causes burns. When you are using it, 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.
You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C5H4ClNO2S/c6-10(8,9)5-2-1-3-7-4-5/h1-4H
(2)InChIKey: CDRNYKLYADJTMN-UHFFFAOYAZ
(3)Std. InChI: InChI=1S/C5H4ClNO2S/c6-10(8,9)5-2-1-3-7-4-5/h1-4H
(4)Std. InChIKey: CDRNYKLYADJTMN-UHFFFAOYSA-N
