Sulfonium, triphenyl-, salt with 3,3,4,4-tetrafluoro-4-sulfobutyl tricyclo[3.3.1.13,7]decane-1-carboxylate (1:1) CAS#: 1001347-91-6; ChemWhat Code: 1497948

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

Identification

Product NameSulfonium, triphenyl-, salt with 3,3,4,4-tetrafluoro-4-sulfobutyl tricyclo[3.3.1.13,7]decane-1-carboxylate (1:1)
IUPAC Name4-(adamantane-1-carbonyloxy)-1,1,2,2-tetrafluorobutane-1-sulfonate;triphenylsulfanium
Molecular Structure
CAS Registry Number 1001347-91-6
EINECS NumberNo data available
MDL NumberNo data available
Beilstein Registry NumberNo data available
Synonymstriphenylsulfonium ((adamantane-1-carbonyl)oxy)-tetrafluorobutanesulfonate
Molecular FormulaC33H34F4O5S2
Molecular Weight650.742
InChIInChI=1S/C18H15S.C15H20F4O5S/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;16-14(17,15(18,19)25(21,22)23)1-2-24-12(20)13-6-9-3-10(7-13)5-11(4-9)8-13/h1-15H;9-11H,1-8H2,(H,21,22,23)/q+1;/p-1
InChI KeyInChI=1S/C18H15S.C15H20F4O5S/c1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;16-14(17,15(18,19)25(21,22)23)1-2-24-12(20)13-6-9-3-10(7-13)5-11(4-9)8-13/h1-15H;9-11H,1-8H2,(H,21,22,23)/q+1;/p-1
Canonical SMILESO=C(OCCC(F)(F)C(F)(F)S(=O)(=O)[O-])C12CC3CC(CC(C3)C1)C2.c1ccc(S+c2ccccc2)cc1
Patent Information
Patent IDTitlePublication Date
CN119264025Preparation method of photoacid generator for semiconductor photoresist2025
TW2024/23898Radiation-sensitive resin composition, pattern formation method, and radiation-sensitive acid-generating agent2024

Physical Data

AppearanceWhite to off-white powder
SolubilityNo data available
Flash PointNo data available
Refractive indexNo data available
SensitivityNo data available

Spectra

Description (NMR Spectroscopy)Nucleus (NMR Spectroscopy)
Chemical shifts, Spectrum1H

Route of Synthesis (ROS)

Route of Synthesis (ROS) of Sulfonium, triphenyl-, salt with 3,3,4,4-tetrafluoro-4-sulfobutyl tricyclo[3.3.1.13,7]decane-1-carboxylate (11) CAS# 1001347-91-6
Route of Synthesis (ROS) of Sulfonium, triphenyl-, salt with 3,3,4,4-tetrafluoro-4-sulfobutyl tricyclo[3.3.1.13,7]decane-1-carboxylate (11) CAS# 1001347-91-6
ConditionsYield
With trifluoroacetic acid; trifluoroacetic anhydride at -20 – 40℃; for 12h; Temperature; Inert atmosphere;

Experimental Procedure
1.2-1.3; 6.2-6.3; 7.2-7.3; 8.2-8.3; 9.2-9.3; 10.2-10.3; 11.2-11.2; 12.2-12.3; 13.2-13.3; 14.2-14.3; 15.2-15.3; 16.2-16.3; 17.2-17.3; 2.2-2.3; 3.2-3.3; 4.2-4.3; 5.2-5.3
S2. The reactor was purged with nitrogen, 148.0 g of the intermediate product 1,1,2,2-tetrafluoro-4-hydroxybutane-1-sulfonic acid triphenylsulfonium salt, 60.0 g of adamantane carboxylic acid and 624.1 g of trifluoroacetic acid were added and stirred to dissolve, the reaction temperature was lowered to -20 °C, 127.2 g of trifluoroacetic anhydride was added dropwise, and after the addition was completed, the temperature was raised to 40 °C and the reaction was carried out for 12 h. After the reaction was completed, the reaction was distilled under reduced pressure to obtain a concentrated reaction solution; S3. In the concentrated reaction solution prepared in S2, 2 kg of methyl tert-ether was added as a precipitating solvent, and recrystallized, stirred for 4 h, and then filtered to obtain 177.8 g of a photoacid generator;		90.2%

Safety and Hazards

GHS Hazard StatementsNot Classified

Other Data

TransportationNONH for all modes of transport
Under the room temperature and away from light
HS CodeNo data available
StorageUnder the room temperature and away from light
Shelf Life1 year
Market PriceUSD
Druglikeness
Lipinski rules component
Molecular Weight650.756
logP9.792
HBA5
HBD2
Matching Lipinski Rules2
Veber rules component
Polar Surface Area (PSA)51.21
Rotatable Bond (RotB)10
Matching Veber Rules2
Use Pattern
Serves as a photoacid generator (PAG) in chemically amplified photoresists, mainly used for semiconductor lithography processes such as KrF (248 nm) and ArF (193 nm) exposure, to realize high-resolution pattern formation for integrated circuits and advanced chip manufacturing.
Applied in electronics imaging materials including LCD panels, printing plates, photocurable coatings and inks, providing high sensitivity and thermal stability.
Used as a photochemical reagent in organic synthesis and laboratory R&D, for light-triggered acid-catalyzed reactions in fine chemical preparation.

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