6-butyl-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl trifluoromethanesulfonate CAS#: 1610827-31-0; ChemWhat Code: 1499749
Identification
| Product Name | 6-butyl-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl trifluoromethanesulfonate |
| IUPAC Name | No data available |
| Molecular Structure | ![Structure of 6-butyl-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl trifluoromethanesulfonate CAS 1610827-31-0](https://www.chemwhat.com/wp-content/uploads/2026/07/Structure-of-6-butyl-13-dioxo-1H-benzodeisoquinolin-23H-yl-trifluoromethanesulfonate-CAS-1610827-31-0.jpg) |
| CAS Registry Number | 1610827-31-0 |
| EINECS Number | No data available |
| MDL Number | No data available |
| Beilstein Registry Number | No data available |
| Synonyms | 1H-Benz[de]isoquinoline-1,3(2H)-dione, 6-butyl-2-[[(trifluoromethyl)sulfonyl]oxy]- 6-Butyl-2-{[(trifluormethyl)sulfonyl]oxy}-1H-benzo[de]isochinolin-1,3(2H)-dion 6-Butyl-2-{[(trifluorométhyl)sulfonyl]oxy}-1H-benzo[de]isoquinoléine-1,3(2H)-dione 6-Butyl-2-{[(trifluoromethyl)sulfonyl]oxy}-1H-benzo[de]isoquinoline-1,3(2H)-dione |
| Molecular Formula | C17H14F3NO5S |
| Molecular Weight | 401.355 |
| InChI | InChI=1S/C17H14F3NO5S/c1-2-3-5-10-8-9-13-14-11(10)6-4-7-12(14)15(22)21(16(13)23)26-27(24,25)17(18,19)20/h4,6-9H,2-3,5H2,1H3 |
| InChI Key | MCGHKIFMSZAFAV-UHFFFAOYSA-N |
| Canonical SMILES | CCCCc1ccc2c3c(cccc13)C(=O)N(OS(=O)(=O)C(F)(F)F)C2=O |
| Patent Information | ||
| Patent ID | Title | Publication Date |
| CN119661433 | Photoinduced acid generator, preparation method thereof and photoresist based on photoinduced acid generator | 2025 |
| TW2018/33084 | Negative photosensitive composition, article cured therefrom, and method for curing said composition | 2018 |
| EP2927216 | PYRROLO[1,2-b]PYRIDAZINE DERIVATIVES | 2015 |
Physical Data
| Appearance | White to off-white powder |
| Solubility | No data available |
| Flash Point | No data available |
| Refractive index | No data available |
| Sensitivity | No data available |
| Melting Point, °C | Solvent (Melting Point) |
| 110 |
| Temperature (Solubility (MCS)), °C | Comment (Solubility (MCS)) |
| 251 | Solubility: 20 g/100g solvent |
Spectra
| Description (NMR Spectroscopy) | Nucleus (NMR Spectroscopy) | Solvents (NMR Spectroscopy) | Frequency (NMR Spectroscopy), MHz | Original Text (NMR Spectroscopy) |
| Spectrum, Chemical shifts | 1H | chloroform-d1 | 300 | |
| Chemical shifts | 1H | [D3]acetonitrile | 75 | 8.65-8.58(m,2H), 8.52(d,1H,J=7.3 Hz), 7.86(dd,1H,J=7,3,7.3 Hz), 7.71(d,1H,J=7.9 Hz),3.21(t,2H,J=7.9 Hz), 1.76-1.68(m,2H), 1.51-1.40(m,2H), 0.96(t,3H,J=7.3 Hz). |
| Description (IR Spectroscopy) | Original Text (IR Spectroscopy) |
| Bands | 2969, 2938, 2883, 1716, 1579, 1434, 1397, 1321, 1228, 1174, 1130, 953, 853 |
| Description (UV/VIS Spectroscopy) | Absorption Maxima (UV/VIS), nm | Ext./Abs. Coefficient, l·mol-1cm-1 |
| Absorption maxima | 346 | 16500 |
| Absorption maxima | 365 | 11600 |
Route of Synthesis (ROS)
![Route of Synthesis (ROS) of 6-butyl-1,3-dioxo-1H-benzo[de]isoquinolin-2(3H)-yl trifluoromethanesulfonate CAS# 1610827-31-0](https://www.chemwhat.com/wp-content/uploads/2026/07/Route-of-Synthesis-ROS-of-6-butyl-13-dioxo-1H-benzodeisoquinolin-23H-yl-trifluoromethanesulfonate-CAS-1610827-31-0.jpg)
| Conditions | Yield |
| With pyridine In dichloromethane at 0 – 20℃; for 1h; | 89.48% |
| With pyridine In chloroform at 2 – 20℃; for 1h; | 3.06 g |
Safety and Hazards
| GHS Hazard Statements | Not Classified |
Other Data
| Transportation | NONH for all modes of transport |
| Under the room temperature and away from light | |
| HS Code | |
| Storage | Under the room temperature and away from light |
| Shelf Life | 2 years |
| Market Price | USD |
| Druglikeness | |
| Lipinski rules component | |
| Molecular Weight | 401.363 |
| logP | 4.44 |
| HBA | 4 |
| HBD | 0 |
| Matching Lipinski Rules | 4 |
| Veber rules component | |
| Polar Surface Area (PSA) | 89.13 |
| Rotatable Bond (RotB) | 6 |
| Matching Veber Rules | 2 |
| Use Pattern |
| Photoacid Generator (PAG) in Semiconductor Lithography |
| The primary use of CAS 85342-62-7 is as a non-ionic photoacid generator (PAG) used in chemically amplified photoresists. Upon exposure to UV, DUV, or electron-beam radiation, it generates a strong acid that drives resist chemical reactions needed for pattern formation. |
| Advanced Photoresist Systems |
| Microelectronics & Nanofabrication |
| UV / Radiation-Induced Polymer Chemistry |
| used as a cationic photoinitiator, enabling: Cationic polymerization reactions UV-curable coatings and resins (in research/advanced formulations) Polymer surface modification systems |
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