1185898-21-8

Basic information

• Product Name: 5,5,5-trifluoropentanetyl 4-methylbenzenesulfonate
• Synonyms: 5,5,5-trifluoropentanetyl 4-methylbenzenesulfonate
• CAS NO: 1185898-21-8
• Molecular Weight: 296.311
• Mol File: 1185898-21-8.mol
• Article Data: 4

Chemical Properties

• CAS DataBase Reference: 5,5,5-trifluoropentanetyl 4-methylbenzenesulfonate(CAS DataBase Reference)
• NIST Chemistry Reference: 5,5,5-trifluoropentanetyl 4-methylbenzenesulfonate(1185898-21-8)
• EPA Substance Registry System: 5,5,5-trifluoropentanetyl 4-methylbenzenesulfonate(1185898-21-8)

Safety Data

• Hazardous Substances Data: 1185898-21-8(Hazardous Substances Data)

Upstream product

• 75-63-8 Bromotrifluoromethane 
• 778-29-0 but-3-enyl 4-methylbenzenesulfonate 
• 352-61-4 5,5,5-trifluoro-1-pentanol 
• 98-59-9 p-toluenesulfonyl chloride 

Relevant articles and documents

Method for preparing fluoroalkane substituted compound by reducing halogenated fluoroalkane and olefin through metal elementary substance

The invention discloses a method for preparing a fluoroalkane substituted compound, which comprises the steps of taking a compound containing carbon-carbon double bonds and halogenated fluoroalkane as raw materials, taking a metal elementary substance as a reducing agent, taking a substance containing active protons as a hydrogen source, and carrying out an addition reaction to prepare a compound which is simultaneously substituted by hydrogen and fluoroalkyl, thereby obtaining the fluoroalkane substituted compound. According to the method, the metal elementary substance is used as the reducing agent for the first time, the compound containing active hydrogen is used as the hydrogen source, one hydrogen atom and one fluoroalkyl group are introduced to the two ends of olefin respectively, only one-step reaction is needed, the reaction process conditions are mild, the reaction raw materials are cheap and easy to obtain, the cost is low, and all reaction reagents are green and environmentally friendly; and the reaction substrate has strong applicability, can participate in the reaction as long as carbon-carbon double bonds exist in the structure, and is not influenced by the types of substituent groups on carbon atoms of the double bonds, and the yield of the product is good.

Exploring physicochemical space: Via a bioisostere of the trifluoromethyl and ethyl groups (BITE): Attenuating lipophilicity in fluorinated analogues of Gilenya for multiple sclerosis

The direct, catalytic vicinal difluorination of terminal alkenes via an I(i)/I(iii) manifold was exploited to install a chiral, hybrid bioisostere of the CF3 and Et groups (BITE) in Gilenya; the first orally available drug for the clinical management of Multiple Sclerosis (MS). This subtle fluorination pattern allows lipophilicity (logD) to be tempered compared to the corresponding CF3 and Et derivatives (CH2CH3 > CH2CF3 > CHFCH2F).