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| CAS No.: | 2235-00-9 |
|---|---|
| Name: | N-Vinylcaprolactam |
| Molecular Structure: | |
|
|
|
| Formula: | C8H13NO |
| Molecular Weight: | 139.197 |
| Synonyms: | 2H-Azepin-2-one,hexahydro-1-vinyl- (6CI,7CI,8CI);1-Vinylcaprolactam;N-Vinyl-e-caprolactam;N-Vinylazepan-2-one;1-vinylhexahydro-2h-azepin-2-one;1-ethenylazepan-2-one;Vinylcaprolactam;n-vinyl-epsilon-caprolactam; |
| EINECS: | 218-787-6 |
| Density: | 1.049 g/cm3 |
| Melting Point: | 35-38 °C (dec.)(lit.) |
| Boiling Point: | 254.7 °C at 760 mmHg |
| Flash Point: | 112.5 °C |
| Solubility: | Soluble in water (partly). |
| Appearance: | solid |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 22-41 |
| Safety: | 26-39 |
| PSA: | 20.31000 |
| LogP: | 1.47040 |
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- 13344-00-8
1,4-diethoxybutane
- 2235-00-9
vinylcaprolactam
| Conditions | Yield |
|---|---|
| 81.9% |
| Conditions | Yield |
|---|---|
| With dmap; [bis(2-methylallyl)cycloocta-1,5-diene]ruthenium(II); tributylphosphine In toluene at 100℃; for 16h; Reagent/catalyst; Autoclave; Glovebox; | 80% |
| With dmap; tributylphosphine In toluene at 100℃; for 16h; Reagent/catalyst; Inert atmosphere; Autoclave; Glovebox; | 80% |
| With nitrogen; pyrrolidone potassique; toluene at 120 - 130℃; under 11032.6 Torr; |
- 151455-49-1
Acetic acid 2,2-dichloro-1-(2-oxo-azepan-1-yl)-ethyl ester
A
- 105-60-2
caprolactam
B
- 2235-00-9
vinylcaprolactam
| Conditions | Yield |
|---|---|
| With tetraethylammonium perchlorate In acetonitrile at 20℃; electroreduction: mercury pool cathode; working potential 2.3 V (versus SCE); Yields of byproduct given; | A n/a B 10% C n/a D n/a |
| With tetraethylammonium perchlorate In acetonitrile at 20℃; electroreduction: mercury pool cathode; working potential 2.3 V (versus SCE); Yield given. Title compound not separated from byproducts; | A n/a B 10% C n/a D n/a |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: 50 percent / benzene / 2 h / Heating 2: 63 percent / Et3N / CH2Cl2 / 3 h / Ambient temperature 3: 10 percent / tetraethylammonium perchlorate / acetonitrile / 20 °C / electroreduction: mercury pool cathode; working potential 2.3 V (versus SCE) View Scheme |
- 914226-29-2
1-(2,2-Dichloro-1-hydroxy-ethyl)-azepan-2-one
- 2235-00-9
vinylcaprolactam
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 63 percent / Et3N / CH2Cl2 / 3 h / Ambient temperature 2: 10 percent / tetraethylammonium perchlorate / acetonitrile / 20 °C / electroreduction: mercury pool cathode; working potential 2.3 V (versus SCE) View Scheme |
- 2235-00-9
vinylcaprolactam
- 19797-08-1
1-ethylhexahydro-2H-azepin-2-one
| Conditions | Yield |
|---|---|
| With triethylsilane; 1% Pd on activated carbon In water at 20℃; for 2h; Reagent/catalyst; Green chemistry; chemoselective reaction; | 100% |
| With palladium on carbon; hydrogen; C64H118O20 In water at 20℃; for 2h; Reagent/catalyst; | 100% |
| With ammonium formate; palladium on activated charcoal In methanol for 0.5h; Heating; | 97% |
| With ammonium hydroxide; hydrazine hydrate In ethanol at 60℃; for 33h; Catalytic behavior; | |
| With hydrogen In water at 80℃; under 7500.75 Torr; for 20h; Autoclave; | 92 %Chromat. |
| Conditions | Yield |
|---|---|
| With acetic acid In hexane at 20℃; for 14h; regiospecific reaction; | 100% |
| Conditions | Yield |
|---|---|
| With acetic acid In hexane at 20℃; for 14h; regiospecific reaction; | 100% |
| Conditions | Yield |
|---|---|
| With acetic acid In hexane at 20℃; for 14h; regiospecific reaction; | 100% |
| Conditions | Yield |
|---|---|
| With acetic acid In hexane at 20℃; for 14h; regiospecific reaction; | 100% |
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Chemistry
Molecular Structure of 2H-Azepin-2-one,1-ethenylhexahydro- (CAS NO.2235-00-9):
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IUPAC Name: 1-ethenylazepan-2-one
Empirical Formula: C8H13NO
Molecular Weight: 139.1949
H bond acceptors: 2
H bond donors: 0
Freely Rotating Bonds: 1
Polar Surface Area: 20.31 Å2
Index of Refraction: 1.548
Molar Refractivity: 42.14 cm3
Molar Volume: 132.6 cm3
Surface Tension: 43.9 dyne/cm
Density: 1.049 g/cm3
Flash Point: 112.5 °C
Enthalpy of Vaporization: 49.21 kJ/mol
Boiling Point: 254.7 °C at 760 mmHg
Vapour Pressure: 0.017 mmHg at 25°C
Melting point: 35-38 °C (dec.)(lit.)
Stability: Stable. Combustible. Incompatible with strong oxidizing agents.
InChI
InChI=1/C8H13NO/c1-2-9-7-5-3-4-6-8(9)10/h2H,1,3-7H2
Smiles
O=C1N(C=C)CCCCC1
EINECS: 218-787-6
Product Categories: Biodegradable Polymer Monomers; Monomers; Polymer Science
Safety Profile
Hazard Codes: 
Xn
Risk Statements: 22-41
R22:Harmful if swallowed.
R41:Risk of serious damage to the eyes.
Safety Statements: 26-39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S39:Wear eye / face protection.
WGK Germany: 3
Specification
2H-Azepin-2-one,1-ethenylhexahydro- , with CAS number of 2235-00-9, can be called 1-vinylhexahydro-2h-azepin-2-one ; 1-ethenylazepan-2-one ; 1-ethenylhexahydro-2h-azepin-2-one ; vinylcaprolactam ; n-vinyl-epsilon-caprolactam ; n-vinylcaprolactam ; 1-ethenylhexahydro-2h-azepin-2-on ; 2h-azepin-2-one, 1-ethenylhexahydro- .