- 2-Propenoic acid 2-isocyanatoethyl ester
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Cas Database |
| Name |
2-Propenoic acid 2-isocyanatoethyl ester |
EINECS | N/A |
| CAS No. | 13641-96-8 | Density | 1.05g/cm3 |
| PSA | 55.73000 | LogP | 0.05140 |
| Solubility | N/A | Melting Point |
-25 °C |
| Formula | C6H7NO3 | Boiling Point | 200°Cat760mmHg |
| Molecular Weight | 141.126 | Flash Point | 86°C |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
Acrylic Acid 2-Isocyanatoethyl Ester;2-Isocyanatoethyl Acrylate;2-(Acryloyloxy)ethyl Isocyanate;2-isocyanatoethyl prop-2-enoate; |
Article Data | 8 |
2-Propenoic acid 2-isocyanatoethyl ester Synthetic route
- 98134-34-0
3-chloropropionic acid (2-isocyanatoethyl) ester
- 13641-96-8
acrylic acid 2-isocyanatoethyl ester
| Conditions | Yield |
|---|---|
| With triethylamine In toluene at 50℃; for 6h; Product distribution / selectivity; | 87% |
| With strongly basic ion-exchange resin In toluene at 50℃; for 6h; not specified; Product distribution / selectivity; | 86% |
| With N,N,N,N,-tetramethylethylenediamine In toluene at 50℃; for 6h; Product distribution / selectivity; | 86% |
- 13641-96-8
acrylic acid 2-isocyanatoethyl ester
| Conditions | Yield |
|---|---|
| With hydrogenchloride; 2,6-di-tert-butyl-4-methyl-phenol In 5,5-dimethyl-1,3-cyclohexadiene at 130℃; for 3h; | 60.7% |
- 13641-96-8
acrylic acid 2-isocyanatoethyl ester
| Conditions | Yield |
|---|---|
| With Bu2SnL2 In toluene at 300℃; | 20% |
- 91-22-5
quinoline
- 98134-34-0
3-chloropropionic acid (2-isocyanatoethyl) ester
- 13641-96-8
acrylic acid 2-isocyanatoethyl ester
| Conditions | Yield |
|---|---|
| With 9,10-phenanthrenequinone |
- 869583-47-1
3-azido-3-oxopropyl acrylate
- 13641-96-8
acrylic acid 2-isocyanatoethyl ester
| Conditions | Yield |
|---|---|
| In chloroform for 2h; Heating / reflux; | |
| In chloroform for 2h; Heating / reflux; |
- 13641-96-8
acrylic acid 2-isocyanatoethyl ester
- 3068-76-6
N-phenyl-N-(3-trimethoxysilylpropyl)amine
| Conditions | Yield |
|---|---|
| at 45℃; | 100% |
- 13641-96-8
acrylic acid 2-isocyanatoethyl ester
| Conditions | Yield |
|---|---|
| at 65℃; | 100% |
- 157923-74-5
(4-amino-3,3-dimethylbutyl)trimethoxysilane
- 13641-96-8
acrylic acid 2-isocyanatoethyl ester
| Conditions | Yield |
|---|---|
| at 75℃; | 100% |
- 13641-96-8
acrylic acid 2-isocyanatoethyl ester
- 3386-18-3
nonaethylene glycol
| Conditions | Yield |
|---|---|
| With dibutyltin dilaurate; 4-methoxy-phenol In diethyl ether at 40℃; for 12h; Flow reactor; | 99.8% |
| With dibutyltin dilaurate; 4-methoxy-phenol In tetrahydrofuran at 75℃; for 5h; |
| Conditions | Yield |
|---|---|
| With dibutyltin(II) dilaurate; 10H-phenothiazine at 60℃; for 24h; Temperature; Reagent/catalyst; Inert atmosphere; Green chemistry; | 99.7% |
2-Propenoic acid 2-isocyanatoethyl ester Chemical Properties
Molecular Structure of 2-Propenoic acid 2-isocyanatoethyl ester (CAS No.13641-96-8):
Molecular Formula: C6H7NO3
Molecular Weight: 141.12
CAS No: 13641-96-8
H bond acceptors: 4
H bond donors: 0
Freely Rotating Bonds: 5
Polar Surface Area: 55.73 Å2
Index of Refraction: 1.452
Molar Refractivity: 36.15 cm3
Molar Volume: 133.8 cm3
Surface Tension: 36.3 dyne/cm
Density: 1.05 g/cm3
Flash Point: 86 °C
Enthalpy of Vaporization: 43.62 kJ/mol
Boiling Point: 200 °C at 760 mmHg
Vapour Pressure: 0.331 mmHg at 25°C
IUPAC Name: 2-Isocyanatoethyl prop-2-enoate
Canonical SMILES: C=CC(=O)OCCN=C=O
InChI: InChI=1S/C6H7NO3/c1-2-6(9)10-4-3-7-5-8/h2H,1,3-4H2
InChIKey: DPNXHTDWGGVXID-UHFFFAOYSA-N
2-Propenoic acid 2-isocyanatoethyl ester Specification
2-Propenoic acid 2-isocyanatoethyl ester (CAS No.13641-96-8), it also can be called 2-Isocyanatoethyl 2-propenoate .
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