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IdentificationPhysical DataSpectraRoute of Synthesis (ROS)Safety and HazardsOther Data

Identification

Product Name1-ethanone 1-(O-acetyloxime)IUPAC Nameethylideneamino] acetateMolecular StructureCAS Registry Number 478556-66-0Synonyms478556-66-0Ethanone, 1--, 1-(O-acetyloxime)ethylideneamino] acetateSCHEMBL514041DTXSID50889185(e)-1-(((1-(9-ethyl-6-(2-methylbenzoyl)-9h-carbazol-3-yl)ethylidene)amino)oxy)ethan-1-oneDB-0158441-ethanone (O-acetyloxime)Molecular FormulaC26H24N2O3 Molecular Weight412.5InChIInChI=1S/C26H24N2O3/c1-5-28-24-12-10-19(17(3)27-31-18(4)29)14-22(24)23-15-20(11-13-25(23)28)26(30)21-9-7-6-8-16(21)2/h6-15H,5H2,1-4H3 InChI KeySEEVRZDUPHZSOX-UHFFFAOYSA-NIsomeric SMILESCCN1C2=C(C=C(C=C2)C(=NOC(=O)C)C)C3=C1C=CC(=C3)C(=O)C4=CC=CC=C4C

Patent InformationPatent IDTitlePublication DateTW2023/34322Infrared absorbing composition, film, optical filter, solid-state imaging element, image display device, infrared sensor, and camera module2023TW2022/48363Composition, film, optical filter, solid-state imaging element, image display device, infrared sensor, camera module, compound, and infrared absorbing agent2022TW2022/29465COLORED COMPOSITION, CURED MATERIAL, COLOR FILTER, SOLID-STATE IMAGE SENSOR, IMAGE DISPLAY DEVICE, AND COMPOUND2022TW2021/4456Photosensitive resin composition, cured film, color filter, solid-state imaging element and image display device2021

Physical Data

AppearanceWhite Powder

Melting Point, °C Solvent (Melting Point) 125.5 - 126.1ethanol

Spectra

Description (NMR Spectroscopy)Nucleus (NMR Spectroscopy)Solvents (NMR Spectroscopy)Frequency (NMR Spectroscopy), MHzChemical shifts1Hchloroform-d1400Chemical shifts13Cchloroform-d1100

Description (IR Spectroscopy)Solvent (IR Spectroscopy)Bandspotassium bromide

Description (UV/VIS Spectroscopy)Solvent (UV/VIS Spectroscopy)Absorption Maxima (UV/VIS), nmExt./Abs. Coefficient, l·mol-1cm-1Spectrumacetonitrilemethanol33723000Spectrumacetonitrile

Route of Synthesis (ROS)

Route of Synthesis (ROS) of 1-ethanone 1-(O-acetyloxime) CAS# 478556-66-0

ConditionsYieldWith boric acid In water; chlorobenzene Solvent; Reflux;Experimental ProcedureWith an electric stirrer,Thermometer, and water separator were charged with 500 ml of chlorobenzene and 85.4 g of water1- (6-o-methylbenzoyl-N-ethylcarbazol-3-yl) -ethanone oxime (0.23 mol)27.6 g of acetic acid(0.46 mol) and 21.3 gBoric acid (0.34 mol) was added, and the mixture was refluxed. After completion of the reaction, carbon was successively usedSodium hydride solution, washing to neutral, adding anhydrous sodium sulfate drying, filtration. The filtrate was evaporated to remove the solventThe semi-solid was crystallized by adding 150 ml of ethanol to give 76.0 g of 1- (6-o-methylbenzoyl-N-Ethylcarbazol-3-yl) -ethanone oxime-O-acetyl, HPLC purity 98.7%, yield 80%80%

Safety and Hazards

Pictogram(s)SignalWarningGHS Hazard StatementsH302 (100%): Harmful if swallowed H317 (100%): May cause an allergic skin reaction Precautionary Statement CodesP261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, and P501(The corresponding statement to each P-code can be found at the GHS Classification page.)

Other Data

TransportationUnder room temperature，Sealed and away from lightHS CodeStorageUnder room temperature，Sealed and away from light.Shelf Life1 yearMarket Price

DruglikenessLipinski rules componentMolecular Weight412.488logP6.834HBA3HBD0Matching Lipinski Rules4Veber rules componentPolar Surface Area (PSA)60.66Rotatable Bond (RotB)6Matching Veber Rules2

Use Pattern1-ethanone 1-(O-acetyloxime) CAS 478556-66-0 is a very efficient solid photoinitiator, especially suitable for For applications requiring extremely high photosensitivity. It has higher photosensitivity but slightly less resistance to yellowing. It has an absorption band in the range of 300-400nm, the peak wavelength is 340nm, the absorption edge reaches 400nm, and is sensitive to light at or below the i-line (365nm). And 1-ethanone 1-(O-acetyloxime) has excellent curing performance in high-pigment photoresist formulations, often used in colored photoresists (RGB glue) and black photoresists (BM glue):In addition, it can also be used in photosensitive polyimide formulations , LCD isolation materials, microlens materials, outer coatings, dielectric layers and insulating layers.It is highly soluble in solvents such as propylene glycol monomethyl ether acetate (PGMEA) and cyclohexanone, which are commonly used in color filter photoresists.
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