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Cas Database |
| Name |
2-Methacryloyloxyethyl phosphorylcholine |
EINECS | N/A |
| CAS No. | 67881-98-5 | Density | 1.22-1.41 at 21.5-22.4℃ |
| PSA | 94.70000 | LogP | 1.38370 |
| Solubility | 83-86vol% at 20℃ and pH5.9-6.8[vol%] | Melting Point |
143-148°C |
| Formula | C11H22NO6P | Boiling Point | N/A |
| Molecular Weight | 295.273 | Flash Point | N/A |
| Transport Information | N/A | Appearance | N/A |
| Safety | 24/25 | Risk Codes | N/A |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
2-(Methacryloyloxy)ethyl2-(trimethylammonio)ethyl phosphate;2-Methacryloyloxyethyl phosphorylcholine; |
Article Data | 8 |
2-Methacryloyloxyethyl phosphorylcholine Synthetic route
- 67881-98-5
2-methacryloyloxyethyl phosphorylcholine
| Conditions | Yield |
|---|---|
| With zinc In ethanol at 0℃; | 86% |
- 82793-19-9
Ethylene 2-(methacryloyloxy)ethyl phosphate
- 75-50-3
trimethylamine
- 67881-98-5
2-methacryloyloxyethyl phosphorylcholine
| Conditions | Yield |
|---|---|
| In acetonitrile at 50℃; for 48h; Ring cleavage; Amination; | 37% |
| In acetonitrile at -20 - 60℃; for 36h; | |
| In acetonitrile at -20 - 60℃; for 16h; Sealed tube; | 3.1 g |
- 190070-82-7
2-Bromoethyl 2-cyanoethyl-2-(methacryloyloxy)ethyl phosphate
- 75-50-3
trimethylamine
- 67881-98-5
2-methacryloyloxyethyl phosphorylcholine
| Conditions | Yield |
|---|---|
| In acetonitrile at 75℃; for 24h; Amination; |
- 868-77-9
2-methyl-2-propenoic acid 2-hydroxyethyl ester
- 67881-98-5
2-methacryloyloxyethyl phosphorylcholine
| Conditions | Yield |
|---|---|
| Multi-step reaction with 4 steps 1: N,N-diisopropylamine tetrazolide / dichloromethane / 0.33 h 2: 4,5-dichloroimidazole / acetonitrile / 16 h / 20 °C 3: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 0.17 h / 20 °C 4: acetonitrile / 24 h / 75 °C View Scheme | |
| Multi-step reaction with 2 steps 1: triethylamine / tetrahydrofuran / 4 h / -30 - -20 °C 2: acetonitrile / 16 h / -20 - 60 °C / Sealed tube View Scheme |
- 24619-52-1
Ethylenedioxy-2-(methacryloyloxy)ethoxyphosphine
- 67881-98-5
2-methacryloyloxyethyl phosphorylcholine
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: trimethylamine-N-oxide / acetonitrile / 0.67 h 2: acetonitrile / 48 h / 50 °C View Scheme |
- 190070-81-6
2-Bromoethoxy-2-(cyanoethoxy)-2-(methacryloyloxy)ethoxyphosphine
- 67881-98-5
2-methacryloyloxyethyl phosphorylcholine
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 0.17 h / 20 °C 2: acetonitrile / 24 h / 75 °C View Scheme |
- 190070-80-5
2-((2-cyanoethoxy)(diisopropylamino)phosphinoxy)ethyl methacrylate
- 67881-98-5
2-methacryloyloxyethyl phosphorylcholine
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: 4,5-dichloroimidazole / acetonitrile / 16 h / 20 °C 2: 3-chloro-benzenecarboperoxoic acid / dichloromethane / 0.17 h / 20 °C 3: acetonitrile / 24 h / 75 °C View Scheme |
- 868-77-9
2-methyl-2-propenoic acid 2-hydroxyethyl ester
- 67881-98-5
2-methacryloyloxyethyl phosphorylcholine
| Conditions | Yield |
|---|---|
| In acetonitrile |
- 67881-98-5
2-methacryloyloxyethyl phosphorylcholine
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1.1: trichlorophosphate; triethylamine / acetonitrile / 2.5 h / -5 - 20 °C 2.1: triethylamine / 2 h / 0 - 20 °C 2.2: 1 h / 0 - 20 °C 3.1: zinc / ethanol / 0 °C View Scheme |
2-Methacryloyloxyethyl phosphorylcholine Specification
The 2-Methacryloyloxyethyl phosphorylcholine with its cas register number 67881-98-5, also can be called as 2-(2-Methylprop-2-enoyloxy)ethyl 2-trimethylazaniumylethyl phosphate and the IUPAC Name about this chemical is 2-(2-methylprop-2-enoyloxy)ethyl 2-(trimethylazaniumyl)ethyl phosphate. It belongs to the following product categories, such as Ammonium Polyhalides, etc. (Quaternary), Quaternary Ammonium Compounds.
Physical properties about 2-methacryloyloxyethyl phosphorylcholine are: (1)ACD/LogP: -3.335; (2)ACD/LogD (pH 5.5): -2.74; (3)ACD/LogD (pH 7.4): -2.74; (4)ACD/BCF (pH 5.5): 1.00; (5)ACD/BCF (pH 7.4): 1.00; (6)ACD/KOC (pH 5.5): 1.45; (7)ACD/KOC (pH 7.4): 1.45; (8)#H bond acceptors: 7; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 10
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=C)C(=O)OCCOP(=O)([O-])OCC[N+](C)(C)C
(2)InChI: InChI=1S/C11H22NO6P/c1-10(2)11(13)16-8-9-18-19(14,15)17-7-6-12(3,4)5/h1,6-9H2,2-5H3
(3)InChIKey: ZSZRUEAFVQITHH-UHFFFAOYSA-N
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