38946-63-3

Basic information

• Product Name: Phenol, 4-(1,1-dimethylethyl)-2-fluoro-
• Synonyms: Phenol, 4-(1,1-dimethylethyl)-2-fluoro-;4-tert-Butyl-2-fluorophenol
• CAS NO: 38946-63-3
• Molecular Formula: C₁₀H₁₃FO
• Molecular Weight: 168.21
• Mol File: 38946-63-3.mol
• Article Data: 14

Chemical Properties

• Appearance: /
• CAS DataBase Reference: Phenol, 4-(1,1-dimethylethyl)-2-fluoro-(CAS DataBase Reference)
• NIST Chemistry Reference: Phenol, 4-(1,1-dimethylethyl)-2-fluoro-(38946-63-3)
• EPA Substance Registry System: Phenol, 4-(1,1-dimethylethyl)-2-fluoro-(38946-63-3)

Safety Data

• Hazardous Substances Data: 38946-63-3(Hazardous Substances Data)

Upstream product

• 530-48-3 1,1-Diphenylethylene 
• 111-87-5 octanol 
• 507-20-0 tertiary butyl chloride 
• 367-12-4 2-fluorophenol 
• 124-13-0 Octanal 
• 98-54-4 para-tert-butylphenol 
• 98-52-2 4-(1,1-dimethylethyl)-cyclohexanol 
• 98-29-3 4-tert-Butylcatechol 
• 100-52-7 benzaldehyde 
• 115-11-7 isobutene 
• 100-51-6 benzyl alcohol 
• 1129-21-1 4-t-butyl-1,2-benzoquinone 
• 4783-74-8 2-(4-(tert-butyl)phenoxy)pyridine 
• 110-05-4 di-tert-butyl peroxide 

Downstream Products

• 143771-04-4 2,2-difluoro-4-t-butyl-3,5-cyclohexadien-1-one 
• 38946-42-8 2-Aminomethyl-4-tert-butyl-6-fluoro-phenol; hydrochloride 
• 875306-02-8 trifluoro-methanesulfonic acid 4-tert-butyl-2-fluoro-phenyl ester 
• 939819-18-8 methyl 4-tert-butyl-2-fluorobenzoate 
• 1078600-08-4 6-[(4-tert-butyl-2-fluorophenoxy)methyl][1,3]dioxolo[4,5-g]quinoline-7-carboxylic acid 
• 1371567-32-6 1,1-dimethylethyl(2-{[4-(1,1-dimethylethyl)-2-fluorophenyl]oxy}ethyl) carbamate 

Relevant articles and documents

Synergistic Br?nsted/Lewis acid catalyzed aromatic alkylation with unactivated tertiary alcohols or di-tert-butylperoxide to synthesize quaternary carbon centers

Dual Br?nsted/Lewis acid catalysis involving environmentally benign, readily accessible protic acid and iron promotes site-selective tert-butylation of electron-rich arenes using di-tert-butylperoxide. This transformation inspired the development of a synergistic Br?nsted/Lewis acid catalyzed aromatic alkylation that fills a gap in the Friedel-Crafts reaction literature by employing unactivated tertiary alcohols as alkylating agents, leading to new quaternary carbon centers. Corroborated by DFT calculations, the Lewis acid serves a role in enhancing the acidity of the Br?nsted acid. The use of non-allylic, non-benzylic, and non-propargylic tertiary alcohols represents an underexplored area in Friedel-Crafts reactivity.

Synthesis of 2 - fluoro phenol compounds

The present invention provides a method for synthetizing a 2-fluoro phenol compound shown in a formula IV. The phenol compound shown in the formula I is prepared into a 2-pyridine oxygroup arene compound shown in a formula II through an Ullmann reaction, the 2-pyridine oxygroup arene compound shown in the formula II is mixed with a palladium catalyst, a fluorinating reagent, an additive and an organic solvent, the mixture is stirred under the temperature of 30-160 DEG C to perform a fluorination reaction to obtain an ortho-position fluoridated 2-pyridine oxygroup arene compound shown in a formula III, and the ortho-position fluoridated 2-pyridine oxygroup arene compound shown in the formula III is prepared into the 2-fluoro phenol compound shown in the formula IV through the action of alkali. The method provided by the present invention has the advantages of mild reaction conditions, simplicity in operations, good substrate adaptability, high fluorination selectivity and the like. The 2-fluoro phenol compound is shown in the figure below.

Nucleophilic deoxyfluorination of catechols

Nucleophilic deoxyfluorinaiton of one of the two hydroxyl groups of catechols has been developed via the Umpolung concept. This method was successively applied to naturally occurring catechols, such as catechins and dopamine, to produce novel fluorinated