2-[[(BUTYLAMINO)CARBONYL]OXY]ETHYL ACRYLATE CAS#: 63225-53-6; ChemWhat Code: 937060
Identification
| Product Name | 2-[[(BUTYLAMINO)CARBONYL]OXY]ETHYL ACRYLATE CAS#: 63225-53-6 |
| IUPAC Name | 2-(butylcarbamoyloxy)ethyl prop-2-enoate |
| Molecular Structure | ![Structure of 2-[[(BUTYLAMINO)CARBONYL]OXY]ETHYL ACRYLATE CAS 63225-53-6](https://www.chemwhat.com/wp-content/uploads/2018/05/Structure-of-2-BUTYLAMINOCARBONYLOXYETHYL-ACRYLATE-CAS-63225-53-6.png){kind=small} |
| CAS Registry Number | 63225-53-6 |
| EINECS Number | 264-036-0 |
| MDL Number | MFCD02093631 |
| Beilstein Registry Number | No data available |
| Synonyms | 3-Pyridinamin;3-Pyridinamine;3-Pyridinamine;pyridin-3-amine;T6NJ CZ;3- Aminopyridine;3-Amino-pyridine;3-pyridylamine;Amino-3 pyridine;m-Aminopyridine;MS/MS-1064463;Pyridin-3-ylamine;Pyridine, 3-amino-;β-Aminopyridine 462-08-8 |
| Molecular Formula | C10H17NO4 |
| Molecular Weight | 215.246 |
| InChI | InChI=1S/C10H17NO4/c1-3-5-6-11-10(13)15-8-7-14-9(12)4-2/h4H,2-3,5-8H2,1H3,(H,11,13) |
| InChI Key | FLKHVLRENDBIDB-UHFFFAOYSA-N |
| Canonical SMILES | CCCCNC(=O)OCCOC(=O)C=C |
| Patent Information | ||
| Patent ID | Title | Publication Date |
| WO2004/52843 | PROCESS FOR PRODUCING CARBAMOYLOXY (METH)ACRYLATES AND NEW CARBAMOYLOXY (METH)ACRYLATES | 2004 |
Physical Data
| Appearance | Clear yellow liquid |
| Solubility | 4.99g/L at 21℃ |
| Flash Point | 230 °F |
| Refractive index | n20/D 1.46(lit.) |
Spectra
| Description (NMR Spectroscopy) | Nucleus (NMR Spectroscopy) | Solvents (NMR Spectroscopy) |
| ROESY (Rotating frame Overhauser Enhancement Spectroscopy), Spectrum | 1H,1H | dimethylsulfoxide-d6 |
Route of Synthesis (ROS)
![Route of Synthesis (ROS) of 2-[[(BUTYLAMINO)CARBONYL]OXY]ETHYL ACRYLATE CAS 63225-53-6](https://www.chemwhat.com/wp-content/uploads/2018/05/Route-of-Synthesis-ROS-of-2-BUTYLAMINOCARBONYLOXYETHYL-ACRYLATE-CAS-63225-53-6.png)
| Conditions | Yield |
| With hydrogen In ethyl acetate at 20℃; under 7600.51 Torr; for 6h; Autoclave; | 99% |
| With 0.2C27H36N2*Pt; hydrogen In tetrahydrofuran at 60℃; under 3000.3 Torr; for 5h; chemoselective reaction; | 99% |
| With hydrogen In ethyl acetate under 760.051 Torr; for 2h; Heating; Flow reactor; Green chemistry; | 99% |
| With hydrogen; triethylamine In ethanol; water at 110℃; under 30003 Torr; for 24h; Autoclave; | 98% |
| With hydrogen In 2-methyltetrahydrofuran; water at 40℃; under 15001.5 Torr; for 24h; chemoselective reaction; | 98% |
| With sodium tetrahydroborate In water at 20℃; for 1.5h; chemoselective reaction; Experimental Procedure General procedure: In a typical experiment, 0.5mmol of nitroarene and 0.002g(2mol%) NiNPs/DNA were added to 2mL water and thenstirred for 2-3min for thoroughly mixing. Subsequently,1mmol of NaBH4was added to the reaction mixture undermagnetic stirring at room temperature. The extent of thereaction was monitored by thin layer chromatography.Reproducibility of the results was checked by repeating theruns at least three times and was found to be within acceptablelimits (± 3%). When the reaction was completed, thereaction mixture was diluted with ethyl acetate and the catalystwas recovered by centrifugation. The combined organicfractions were dried over Na2SO4and evaporated underreduced pressure. The crude product was purified by columnchromatography on silica gel with a mixture of ethyl acetateand n-hexane as the eluent, and the ratio of ethyl acetate andn-hexane was depended on the structure of the products.The structure of isolated products was verified by 1H NMR. | 97% |
Safety and Hazards
| Pictogram(s) |    |
| Signal | Danger |
| GHS Hazard Statements | H300: Fatal if swallowed [Danger Acute toxicity, oral] H315 (46.1%): Causes skin irritation [Warning Skin corrosion/irritation] H317 (53.9%): May cause an allergic skin reaction [Warning Sensitization, Skin] H319 (46.1%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H331 (46.1%): Toxic if inhaled [Danger Acute toxicity, inhalation] H335 (44.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H411 (53.9%): Toxic to aquatic life with long lasting effects [Hazardous to the aquatic environment, long-term hazard] Information may vary between notifications depending on impurities, additives, and other factors. |
| Precautionary Statement Codes | P261, P264, P264+P265, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P316, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (The corresponding statement to each P-code can be found at the GHS Classification page.) |
Other Data
| Transportation | NONH for all modes of transport |
| Storage must be in a cool, shaded, well ventilated and dry area away from direct sources of heat and sunlight. It may congeal or stratify if cold. Allow to warm to room temperature and mix well before using. | |
| HS Code | 290621 |
| Storage | Storage must be in a cool, shaded, well ventilated and dry area away from direct sources of heat and sunlight. It may congeal or stratify if cold. Allow to warm to room temperature and mix well before using. |
| Shelf Life | 1 year |
| Market Price | USD |
| Druglikeness | |
| Lipinski rules component | |
| Molecular Weight | 215.249 |
| logP | 1.554 |
| HBA | 5 |
| HBD | 1 |
| Matching Lipinski Rules | 4 |
| Veber rules component | |
| Polar Surface Area (PSA) | 64.63 |
| Rotatable Bond (RotB) | 10 |
| Matching Veber Rules | 2 |
| Use Pattern |
| 2-[[(Butylamino)carbonyl]oxy]ethyl acrylate is a mono-functional urethane acrylate that plays a significant role as a reactive diluent in radiation-curable formulations, such as coatings, inks, and adhesives. Its non-yellowing nature ensures long-term aesthetic stability, making it ideal for applications where color retention is crucial, especially in transparent or light-colored finishes. The compound is also characterized by a low odor, enhancing its usability in environments requiring minimal chemical emissions, such as indoor or enclosed settings. One of its standout features is the improved flexibility it imparts, particularly when used in conjunction with plastics, which are often challenging substrates for adhesion. This results in coatings and adhesives that can withstand mechanical stress without cracking or peeling. Additionally, the material exhibits low shrinkage during curing, preserving the integrity and precision of the applied layer, which is essential for high-performance coatings. The high elongation and stress-at-break values highlight its mechanical strength, allowing it to stretch under strain while maintaining its structure. With a glass transition temperature (Tg) of -3°C, it retains flexibility even at lower temperatures, making it suitable for applications that demand performance in a range of environmental conditions, from industrial coatings to consumer packaging materials. |
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