Triphenylsulfonium (3-hydroxytricyclo[3.3.1.13,7]decane-1-methoxycarbonyl)difluoromethane sulfonate CAS#: 912290-04-1; ChemWhat Code: 1491734
Identification
| Product Name | Triphenylsulfonium (3-hydroxytricyclo[3.3.1.13,7]decane-1-methoxycarbonyl)difluoromethane sulfonate |
| IUPAC Name | 1,1-difluoro-2-[(3-hydroxy-1-adamantyl)methoxy]-2-oxoethanesulfonate;triphenylsulfanium |
| Molecular Structure | ![Structure of Triphenylsulfonium (3-hydroxytricyclo[3.3.1.13,7]decane-1-methoxycarbonyl)difluoromethane sulfonate CAS 912290-04-1](https://www.chemwhat.com/wp-content/uploads/2026/02/Structure-of-Triphenylsulfonium-3-hydroxytricyclo3.3.1.137decane-1-methoxycarbonyldifluoromethane-sulfonate-CAS-912290-04-1.png) |
| CAS Registry Number | 912290-04-1 |
| EINECS Number | No data available |
| MDL Number | No data available |
| Beilstein Registry Number | No data available |
| Synonyms | triphenylsulfonium 1-((3-hydroxy-1-adamantyl)methoxycarbonyl)difluoromethanesulfonatedifluoro-(3-hydroxy-adamantane-1-ylmethoxycarbonyl)methanesulfonic acid-triphenylsulfonium salttriphenylsulfonium 1-((3-hydroxyadamantyl)methoxycarbonyl)difluoromethanesulfonate |
| Molecular Formula | C31H32F2O6S2 |
| Molecular Weight | 602.7 |
| InChI | InChI=1S/C18H15S.C13H18F2O6S/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;14-13(15,22(18,19)20)10(16)21-7-11-2-8-1-9(3-11)5-12(17,4-8)6-11/h1-15H;8-9,17H,1-7H2,(H,18,19,20)/q+1;/p-1 |
| InChI Key | MMTQYTFKDNOQOV-UHFFFAOYSA-M |
| Canonical SMILES | C1C2CC3(CC1CC(C2)(C3)O)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 |
| Temperature (Solubility (MCS)), °C | Solvent (Solubility (MCS)) | Comment (Solubility (MCS)) |
| insoluble at 1% in Propyleneglycol monomethyl ether acetate; Propyleneglycol monomethyl ether; 2-heptanone; n-butyl acetate | ||
| 23 | ethyl acetate | Solubility: 2 weight percent |
Spectra
| Description (NMR Spectroscopy) | Nucleus (NMR Spectroscopy) | Solvents (NMR Spectroscopy) | Frequency (NMR Spectroscopy), MHz | Original Text (NMR Spectroscopy) |
| Chemical shifts, Spectrum | 1H | dimethylsulfoxide-d6 | 400 | |
| 1H | dimethylsulfoxide-d6 | 1H-NMR data of B2 (dimethylsulfoxide-d6, Internal Standard: tetramethylsilane): d(ppm) 1.38-1.51(m, 12H); 2.07(S, 2H); 3.85(s, 2H); 4.41(s, 1H); 7.75-7.89(m, 15H) |
| Description (Mass Spectrometry) | Comment (Mass Spectrometry) | Peak |
| ESI (Electrospray ionisation), LCMS (Liquid chromatography mass spectrometry) | Molecular peak | 263.07 m/z |
| ESI (Electrospray ionisation), LCMS (Liquid chromatography mass spectrometry) | Molecular peak | 339.10 m/z |
| Description (UV/VIS Spectroscopy) |
| Spectrum |
Route of Synthesis (ROS)
![Route of Synthesis (ROS) of Triphenylsulfonium (3-hydroxytricyclo[3.3.1.13,7]decane-1-methoxycarbonyl)difluoromethane sulfonate CAS# 912290-04-1](https://www.chemwhat.com/wp-content/uploads/2026/02/Route-of-Synthesis-ROS-of-Triphenylsulfonium-3-hydroxytricyclo3.3.1.137decane-1-methoxycarbonyldifluoromethane-sulfonate-CAS-912290-04-1.png)
| Conditions | Yield |
| In lithium hydroxide monohydrate at 20℃; for 2h; | 94.8% |
| In lithium hydroxide monohydrate; acetonitrile at 23℃; for 15h; | 92% |
| In chloroform; lithium hydroxide monohydrate for 15h; | 23% |
Safety and Hazards
| Pictogram(s) |   |
| Signal | Danger |
| GHS Hazard Statements | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] H314 (94.7%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation] Information may vary between notifications depending on impurities, additives, and other factors. |
| Precautionary Statement Codes | P260, P264, P264+P265, P270, P280, P301+P316, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P330, P363, 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 |
| 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 | |
| Molecular Weight | 602.72 |
| logP | 6.588 |
| HBA | 6 |
| HBD | 1 |
| Matching Lipinski Rules | 2 |
| Veber rules component | |
| Polar Surface Area (PSA) | 112.11 |
| 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) |
Buy Reagent | |
| No reagent supplier? | Send quick inquiry to ChemWhat |
| Want to be listed here as a reagent supplier? (Paid service) | Click here to contact ChemWhat |
Approved Manufacturers | |
| WatsonChem Advanced Chemical Materials | https://www.watsonchem.com/ |
| Want to be listed as an approved manufacturer (Requires approvement)? | Please download and fill out this form and send back to approved-manufacturers@chemwhat.com |
Other Suppliers | |
| Watson International Limited | Visit Watson Official Website |
Contact Us for Other Help | |
| Contact us for other information or services | Click here to contact ChemWhat |