2-(TRIMETHYLSILYL)PHENYL TRIFLUOROMETHANESULFONATE
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2-(TRIMETHYLSILYL)PHENYL TRIFLUOROMETHANESULFONATE
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CAS No:
88284-48-4
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Formula:
C10H13F3O3SSi
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Chemical Name:
2-(TRIMETHYLSILYL)PHENYL TRIFLUOROMETHANESULFONATE
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Synonyms:
2-(TRIMETHYLSILYL)PHENYL TRIFLUOROMETHANESULFONATE;2-(trimethylsilyl)phenyl trifluoromethane-sulfona;2-(Trimethylsilyl)phenyl Triflate;Trifluoromethanesulfonic Acid 2-(Trimethylsilyl)phenyl Ester;2-(Trimethylsilyl)phenyl TriflateTrifluoromethanesulfonic Acid 2-(Trimethylsilyl)phenyl Ester;(TriMethylsilyl)phenyl Triflate;TriMethylsilyl)phenyl trifluoroMethanesulfona;2-(TriMethylsilyl)phenyl trifluoroMethanesulfonate 97%
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CAS No:
2-(TRIMETHYLSILYL)PHENYL TRIFLUOROMETHANESULFONATE Basic Attributes
298.35
298.030670
DTXSID00391985
2931900090
Safety Information
Ⅱ
8
UN 3265 8/PG 2
3
34
26-27-36/37/39-45
C
P280-P305 + P351 + P338-P310
H314
|Danger|H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]|P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501|Aggregated GHS information provided by 39 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
2-(TRIMETHYLSILYL)PHENYL TRIFLUOROMETHANESULFONATE Use and Manufacturing
(1) Prepare 10L glass reactor, after Ar substitution, add 6L dichloromethane, 1kg compound III, Mix(2)With a dry ice - ethanol bath, The reaction solution was cooled to -10 to -15 ° C, 550 g of pyridine was added dropwise, Fever and accompanied by whiteSmoke(3) After the addition was completed, keeping the internal temperature below -10 ° C, dropping 1.8 kg of trifluoromethanesulfonic anhydride, with heat;(4) After the addition is completed, the reaction is ripened for 5 to 6 hours under the condition of T = -5 to 0 ° C;(5) sampling test, GC confirmed compound III disappears, the ice salt bath cooling the reaction solution to 0 ° C below, dropwise1.5L 1N dilute hydrochloric acid solution, quench the reaction, pay attention to heat;(6) After the dropwise addition, stirring, standing, layered, the lower organic layer followed by 2L saturated sodium bicarbonate solution, 2L saturatedBrine, dried over anhydrous magnesium sulfate 100g, filtered and the filtrate was concentrated under reduced pressure to give 1.5kg brown transparent liquid Compound IV;(7) 1.5 kg of crude compound IV was transferred into a 2-L distillation flask and distilled under reduced pressure. In the vacuum degree 1.0kpa conditions, the bath temperature 91 ~ 105 , Boiling point 49 ~ 76 , Before the collection of fraction F1 = 65g; bath temperature 108 ~ 110 , The boiling point of 76 ~ 79 , collected fraction F2 = 1.32kg;Stop distillation, distillation flask residual liquid F2 = 85g; F2 GC purity of 98.7percent.
Computed Properties
Molecular Weight:298.36
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:298.03067647
Monoisotopic Mass:298.03067647
Topological Polar Surface Area:51.8
Heavy Atom Count:18
Complexity:381
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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2-(TRIMETHYLSILYL)PHENYL TRIFLUOROMETHANESULFONATE
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