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| Name |
Cyanomethyl p-toluenesulfonate |
EINECS | 238-604-3 |
| CAS No. | 14562-04-0 | Density | 1.29 g/cm3 |
| PSA | 75.54000 | LogP | 2.30468 |
| Solubility | N/A | Melting Point |
47 °C |
| Formula | C9H9 N O3 S | Boiling Point | 393.6 °C at 760 mmHg |
| Molecular Weight | 211.241 | Flash Point | 191.9 °C |
| Transport Information | N/A | Appearance | Colorless and transparent liquid |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Acetonitrile,[[(4-methylphenyl)sulfonyl]oxy]- (9CI); Glycolonitrile, p-toluenesulfonate(7CI); Glycolonitrile, p-toluenesulfonate (ester) (8CI); Cyanomethyl4-methylbenzenesulfonate; Cyanomethyl p-toluenesulfonate; Cyanomethylp-tosylate; Cyanomethyl toluenesulfonate; Cyanomethyl tosylate;Toluene-4-sulfonic acid cyanomethyl ester |
Cyanomethyl p-toluenesulfonate Synthetic route
| Conditions | Yield |
|---|---|
| anschliessend mit Toluol-sulfonylchlorid-(4); |
- 460-19-5
ethanedinitrile
- 98-59-9
p-toluenesulfonyl chloride
- 14562-04-0
toluene-4-sulfonic acid cyanomethyl ester
| Conditions | Yield |
|---|---|
| With sodium hydroxide In 1,2-dimethoxyethane; water | 6.8 g (64% conversion) |
- 14562-04-0
toluene-4-sulfonic acid cyanomethyl ester
- 503-20-8
fluoroacetonitrile
| Conditions | Yield |
|---|---|
| With fluorosilicate In ethylene glycol at 78℃; for 4h; | 97.1% |
| With potassium fluoride; diethylene glycol |
- 1072-72-6
Tetrahydrothiopyran-4-one
- 14562-04-0
toluene-4-sulfonic acid cyanomethyl ester
- 195503-40-3
tetrahydro-2H-thiopyrane-4-carbonitrile
| Conditions | Yield |
|---|---|
| With potassium tert-butylate In 1,2-dimethoxyethane; tert-butyl alcohol at 0 - 20℃; for 3h; | 91% |
- 927887-21-6
5-iodo-2-isopropyl-4-methoxy-phenol
- 14562-04-0
toluene-4-sulfonic acid cyanomethyl ester
- 927887-22-7
(5-iodo-2-isopropyl-4-methoxy-phenoxy)-acetonitrile
| Conditions | Yield |
|---|---|
| With potassium tert-butylate In tetrahydrofuran | 90% |
| With potassium tert-butylate In tetrahydrofuran at 6 - 20℃; | 81% |
| Stage #1: 5-iodo-2-isopropyl-4-methoxy-phenol With potassium tert-butylate In tetrahydrofuran at 1 - 6℃; Stage #2: toluene-4-sulfonic acid cyanomethyl ester In tetrahydrofuran at 20℃; | 81% |
- 14562-04-0
toluene-4-sulfonic acid cyanomethyl ester
- 88-75-5
2-hydroxynitrobenzene
- 31507-30-9
2-(2-nitrophenoxy)acetonitrile
| Conditions | Yield |
|---|---|
| With potassium carbonate In acetonitrile for 20h; Reflux; | 80% |
- 14562-04-0
toluene-4-sulfonic acid cyanomethyl ester
- 865305-39-1
(2-isopropyl-4-methoxy-5-nitro-phenoxy)-acetonitrile
| Conditions | Yield |
|---|---|
| With potassium carbonate In N,N-dimethyl-formamide at 50℃; for 16h; | 76% |
- 865305-37-9
2-isopropyl-4-methoxy-5-nitro-phenol
- 14562-04-0
toluene-4-sulfonic acid cyanomethyl ester
- 865305-39-1
(2-isopropyl-4-methoxy-5-nitro-phenoxy)-acetonitrile
| Conditions | Yield |
|---|---|
| With potassium carbonate In N,N-dimethyl-formamide at 50℃; for 16h; | 76% |
- 865305-44-8
5-Chloro-2-(1-hydroxy-1-methyl-ethyl)-4-methoxy-phenol
- 14562-04-0
toluene-4-sulfonic acid cyanomethyl ester
- 865305-45-9
C12H14ClNO3
| Conditions | Yield |
|---|---|
| With potassium carbonate In DMF (N,N-dimethyl-formamide) at 20℃; for 16h; | 69% |
| With potassium carbonate In N,N-dimethyl-formamide at 20℃; for 16h; | 69% |
- 16728-82-8
N-cyanomethyl-β-alanine nitrile
- 14562-04-0
toluene-4-sulfonic acid cyanomethyl ester
| Conditions | Yield |
|---|---|
| In N,N-dimethyl-formamide at 50℃; for 120h; |
Cyanomethyl p-toluenesulfonate Chemical Properties
Molecular Structure:
Molecular Formula: C9H9NO3S
Molecular Weight: 211.2377
IUPAC Name: Cyanomethyl 4-methylbenzenesulfonate
Synonyms of Cyanomethyl p-toluenesulfonate (CAS NO.14562-04-0): EINECS 238-604-3 ; (Tosyloxy)acetonitrile ; Acetonitrile, (((4-methylphenyl)sulfonyl)oxy)- ; Acetonitrile, 2-(((4-methylphenyl)sulfonyl)oxy)-
CAS NO: 14562-04-0
Index of Refraction: 1.537
Molar Refractivity: 51.13 cm3
Molar Volume: 163.7 cm3
Surface Tension: 48.1 dyne/cm
Density: 1.29 g/cm3
Flash Point: 191.9 °C
Enthalpy of Vaporization: 64.35 kJ/mol
Boiling Point: 393.6 °C at 760 mmHg
Vapour Pressure of Cyanomethyl p-toluenesulfonate (CAS NO.14562-04-0): 2.1E-06 mmHg at 25°C
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