Triphenylsulfonium salt with 1-(tricyclo[3.3.1.13,7]dec-1-ylmethyl) 2,2-difluoro-2-sulfoacetate (1:1) CAS#: 1022939-88-3; 凯望编码 (ChemWhat Code): 1491748
Triphenylsulfonium salt with 1-(tricyc
Identification
| 英文名 | Triphenylsulfonium salt with 1-(tricyclo[3.3.1.13,7]dec-1-ylmethyl) 2,2-difluoro-2-sulfoacetate (1:1) |
| IUPAC Name | 2-(1-adamantylmethoxy)-1,1-difluoro-2-oxoethanesulfonate;triphenylsulfanium |
| 分子结构 | ![Structure of Triphenylsulfonium salt with 1-(tricyclo[3.3.1.13,7]dec-1-ylmethyl) 2,2-difluoro-2-sulfoacetate (11) CAS 1022939-88-3](https://www.chemwhat.com/wp-content/uploads/2026/02/Structure-of-Triphenylsulfonium-salt-with-1-tricyclo3.3.1.137dec-1-ylmethyl-22-difluoro-2-sulfoacetate-11-CAS-1022939-88-3.png) |
| CAS编号 | 1022939-88-3 |
| EINECS Number | No data available |
| MDL Number | No data available |
| Beilstein Registry Number | No data available |
| 别名 | triphenylsulfonium 1-adamantylmethoxycarbonyldifluoromethanesulfonatetriphenylsulfonium 1-adamantylmethoxycarbonyldifluoromethansulfonatetriphenylsulfonium (adamantan-1-ylmethyl)oxycarbonyldifluoromethanesulfonatetriphenylsulfonium (adamantane-1-ylmethyl)oxycarbonyldifluoromethanesulfonate |
| 分子式 | C31H32F2O5S2 |
| 分子量 | 586.7 |
| InChI | InChI=1S/C18H15S.C13H18F2O5S/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;14-13(15,21(17,18)19)11(16)20-7-12-4-8-1-9(5-12)3-10(2-8)6-12/h1-15H;8-10H,1-7H2,(H,17,18,19)/q+1;/p-1 |
| InChI Key | OPUSNKQMMLRYMS-UHFFFAOYSA-M |
| Canonical SMILES | C1C2CC3CC1CC(C2)(C3)COC(=O)C(F)(F)S(=O)(=O)[O-].C1=CC=C(C=C1)[S+](C2=CC=CC=C2)C3=CC=CC=C3 |
| Patent Information | ||
| Patent ID | Title | Publication Date |
| US2016/168115 | SALT, ACID GENERATOR, RESIST COMPOSITION AND METHOD FOR PRODUCING RESIST PATTERN | 2016 |
| JP2018/145179 | SALT, ACID GENERATOR, RESIST COMPOSITION, AND METHOD FOR PRODUCING RESIST PATTERN | 2018 |
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 |
Spectra
| Nucleus (NMR Spectroscopy) | Solvents (NMR Spectroscopy) | Original Text (NMR Spectroscopy) |
| 1H | chloroform-d1 | 1H NMR (measurement solvent: deuterium chloroform, reference material: tetramethylsilane); δ=7.72 (m, 15H; TPS), 3.85 (s, 2H; CH2), 1.92 (m, 3H; 1-Ad), 1.62 (m, 12H; 1-Ad). |
| 1H | chloroform-d1 | 19F NMR (measurement solvent: deuterium chloroform, reference material: trichlorofluoromethane); δ=-110.0 (s, 2F; CF2). |
| Description (Mass Spectrometry) | Comment (Mass Spectrometry) | Peak |
| ESI (Electrospray ionisation), LCMS (Liquid chromatography mass spectrometry) | Molecular peak | |
| ESI (Electrospray ionisation) | Molecular peak | 263.2 m/z |
| LCMS (Liquid chromatography mass spectrometry), ESI (Electrospray ionisation) | ||
| LCMS (Liquid chromatography mass spectrometry), ESI (Electrospray ionisation) |
| Description (UV/VIS Spectroscopy) |
| Spectrum |
Route of Synthesis (ROS)
![Route of Synthesis (ROS) of Triphenylsulfonium salt with 1-(tricyclo[3.3.1.13,7]dec-1-ylmethyl) 2,2-difluoro-2-sulfoacetate (11) CAS# 1022939-88-3](https://www.chemwhat.com/wp-content/uploads/2026/02/Route-of-Synthesis-ROS-of-Triphenylsulfonium-salt-with-1-tricyclo3.3.1.137dec-1-ylmethyl-22-difluoro-2-sulfoacetate-11-CAS-1022939-88-3.png)
| Conditions | Yield |
| In water at 80℃; | 100% |
| In methanol; water for 15h; |
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 | No data available |
| Storage | Under the room temperature and away from light |
| Shelf Life | 2 years |
| Market Price | USD |
| Druglikeness | |
| Lipinski rules component | |
| 分子量 | 586.721 |
| logP | 8.553 |
| HBA | 5 |
| HBD | 0 |
| Matching Lipinski Rules | 2 |
| Veber rules component | |
| Polar Surface Area (PSA) | 91.88 |
| Rotatable Bond (RotB) | 8 |
| Matching Veber Rules | 2 |
| Use Pattern |
| Core Function: Photoacid Generator (PAG) |
| It absorbs light and undergoes photolytic cleavage |
| Produces a strong acid (difluoromethanesulfonic acid) The generated acid can catalyze chemically amplified reactions or initiate subsequent cationic polymerization. It is a key functional additive in photoresist and cationic photopolymer curing systems. II. Main Application Areas 1.Semiconductor Photoresists (Chemically Amplified Photoresists, CARs) Applicable to: i-line, KrF, and ArF lithography systems High-resolution chemically amplified photoresists Main functions: Acid generation upon exposure Catalyzes deprotection reactions Amplifies exposure effects → improves resolution, sensitivity, and critical dimension / line edge roughness (CD/LER) control Advantages of the adamantyl structure: Provides high thermal stability Reduces acid diffusion → improves resolution and line edge roughness Enhances optical performance and formulation stability of photoresists Cationic Photocuring Systems Used in UV-induced cationic curing of epoxy resins and vinyl ether materials UV irradiation → acid generation → initiates cationic ring-opening polymerization or crosslinking Applications include: UV-curable coatings and inks Electronic encapsulation materials Photo-patternable insulating layers (e.g., PSPI, PI) |
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