1-[9-Ethyl-6-(2-methylbenzoyl)-9H-carbazol-3-yl]ethanone 1-(O-acetyloxime) CAS#: 478556-66-0; ChemWhat Code: 779817

IdentificationPhysical DataSpectra
Route of Synthesis (ROS)Safety and HazardsOther Data

Identification

Product Name1-[9-Ethyl-6-(2-methylbenzoyl)-9H-carbazol-3-yl]ethanone 1-(O-acetyloxime)
IUPAC Name[1-[9-ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate
Molecular Structure1-9-Ethyl-6-2-methylbenzoyl-9H-carbazol-3-ylethanone-1-O-acetyloxime-CAS-478556-66-0
CAS Registry Number 478556-66-0
Synonyms478556-66-0
Ethanone, 1-[9-ethyl-6-(2-methylbenzoyl)-9H-carbazol-3-yl]-, 1-(O-acetyloxime)
[1-[9-Ethyl-6-(2-methylbenzoyl)carbazol-3-yl]ethylideneamino] acetate
SCHEMBL514041
DTXSID50889185
(e)-1-(((1-(9-ethyl-6-(2-methylbenzoyl)-9h-carbazol-3-yl)ethylidene)amino)oxy)ethan-1-one
DB-015844
1-[9-ethyl-6-(2-methylbenzoyl)-9H-carbazole-3-yl]ethanone (O-acetyloxime)
Molecular FormulaC26H24N2O3 
Molecular Weight412.5
InChIInChI=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-N
Isomeric SMILESCCN1C2=C(C=C(C=C2)C(=NOC(=O)C)C)C3=C1C=CC(=C3)C(=O)C4=CC=CC=C4C
Patent Information
Patent IDTitlePublication Date
TW2023/34322Infrared absorbing composition, film, optical filter, solid-state imaging element, image display device, infrared sensor, and camera module2023
TW2022/48363Composition, film, optical filter, solid-state imaging element, image display device, infrared sensor, camera module, compound, and infrared absorbing agent2022
TW2022/29465COLORED COMPOSITION, CURED MATERIAL, COLOR FILTER, SOLID-STATE IMAGE SENSOR, IMAGE DISPLAY DEVICE, AND COMPOUND2022
TW2021/4456Photosensitive 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), MHz
Chemical shifts1Hchloroform-d1400
Chemical 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-1
Spectrumacetonitrile
methanol33723000
Spectrumacetonitrile

Route of Synthesis (ROS)

Route of Synthesis (ROS) of 1-[9-Ethyl-6-(2-methylbenzoyl)-9H-carbazol-3-yl]ethanone 1-(O-acetyloxime) CAS# 478556-66-0
Route of Synthesis (ROS) of 1-[9-Ethyl-6-(2-methylbenzoyl)-9H-carbazol-3-yl]ethanone 1-(O-acetyloxime) CAS# 478556-66-0
ConditionsYield
With boric acid In water; chlorobenzene Solvent; Reflux;

Experimental Procedure

With 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)exclamation-mark
SignalWarning
GHS Hazard StatementsH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
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 light
HS Code
StorageUnder room temperature，Sealed and away from light.
Shelf Life1 year
Market Price
Druglikeness
Lipinski rules component
Molecular Weight412.488
logP6.834
HBA3
HBD0
Matching Lipinski Rules4
Veber rules component
Polar Surface Area (PSA)60.66
Rotatable Bond (RotB)6
Matching Veber Rules2
Use Pattern
1-[9-Ethyl-6-(2-methylbenzoyl)-9H-carbazol-3-yl]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-[9-Ethyl-6-(2-methylbenzoyl)-9H-carbazol-3-yl]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.
Absorption spectrum of 1-[9-Ethyl-6-(2-methylbenzoyl)-9H-carbazol-3-yl]ethanone 1-(O-acetyloxime) CAS# 478556-66-0

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