353-61-7

Basic information

• Product Name: TERT-BUTYL FLUORIDE
• Synonyms: TERT-BUTYL FLUORIDE;2-FLUORO-2-METHYLPROPANE;2-fluoro-2-methyl-propan;2-methyl-2-fluoropropane;propane,2-fluoro-2-methyl-;t-butylfluoride;tl468
• CAS NO: 353-61-7
• Molecular Formula: C₄H₉F
• Molecular Weight: 76.11
• EINECS: 206-538-4
• Mol File: 353-61-7.mol
• Article Data: 24

Chemical Properties

• Melting Point: -77°C
• Boiling Point: 12°C
• Appearance: /
• Density: 0.7352
• Vapor Pressure: 708mmHg at 25°C
• Refractive Index: 1.3174
• CAS DataBase Reference: TERT-BUTYL FLUORIDE(CAS DataBase Reference)
• NIST Chemistry Reference: TERT-BUTYL FLUORIDE(353-61-7)
• EPA Substance Registry System: TERT-BUTYL FLUORIDE(353-61-7)

Safety Data

• Hazardous Substances Data: 353-61-7(Hazardous Substances Data)

Usage

General Description

Tert-butyl fluoride, also known as 2,2,3,3-tetramethylfluoride, is a colorless, volatile liquid with a pungent odor. It is a highly flammable and reactive compound that is commonly used as a reagent in organic synthesis and as a solvent in various chemical reactions. Tert-butyl fluoride is also used as a fluorinating agent in the production of pharmaceuticals and agrochemicals. It is known to be highly toxic if inhaled or ingested, and can cause severe burns upon contact with skin or eyes. The compound should be handled with extreme caution and stored in a well-ventilated area away from heat and direct sunlight.

InChI:InChI=1/C4H9F/c1-4(2,3)5/h1-3H3

Upstream product

• 115-11-7 isobutene 
• 78-83-1 2-methyl-propan-1-ol 
• 507-20-0 tertiary butyl chloride 
• 75-98-9 Trimethylacetic acid 
• 558-17-8 tert-Butyl iodide 
• 1634-04-4 tert-butyl methyl ether 
• 557-99-3 acetyl fluoride 
• 637-92-3 Ethyl tert-butyl ether 
• 5292-43-3 bromoacetic acid tert-butyl ester 
• 507-19-7 t-butyl bromide 
• 1584-03-8 perfluoro-2-methylpent-2-ene 
• 75-65-0 tert-butyl alcohol 
• 78-77-3 Isobutyl bromide 
• 421-20-5 Methyl fluorosulfonate 

Downstream Products

• 141-70-8 1,1-dineopentylethylene 
• 27656-49-1 trans-2,2,4,6,6-pentamethyl-3-heptene 
• 420-45-1 2,2-difluoropropane 
• 1184-60-7 2-fluoropropene 
• 74-87-3 methylene chloride 
• 144774-61-8 C₄H₉Cl*Cl^(1-) 
• 98-51-1 4-tert-butyltoluene 
• 1075-38-3 m-t-butyltoluene 
• 834-14-0 p-benzylanizole 
• 883-90-9 o-benzyl anisole 
• 4210-60-0 t-butylmalonodinitrile 

Relevant articles and documents

GROUP ADDITIVITY FOR THE BAND STRENGTH OF THE CF-CHROMOPHORE FOR IR-PHOTOCHEMISTRY.

Integrated band strengths for rovibrational absorption in the frequency range of the CF-chromophore (800 to 1300 cm** minus **1) have been obtained from vapor phase IR-spectra of twelve fluoroalkanes containing one or more CF groups. It is found that the chromophore band strength is about 1. 7 (pm)**2 for each CF group with some minor variations due to neighboring substituents at the CF carbon atom. These variations can be accounted for by a simple, empirical equation. The results are discussed in relation to the chromophore principle in IR-photochemistry. The frequency distribution of the chromophore absorption for primary, secondary, and tertiary alkyl fluorides is considered. The primary CF-chromophore (R-CH//2-F) is suggested to be a particularly useful general chromophore for CO//2-laser pumping. The foundations of the group additivity for chromophore band strengths and some further applications are discussed as well.

METHOD FOR PRODUCING FLUORINATED HYDROCARBONS

Provided is a method for industrially advantageously producing a fluorinated hydrocarbon (3). The disclosed method for producing a fluorinated hydrocarbon represented by formula (3) includes bringing into contact, in a hydrocarbon-based solvent, a secondary or tertiary ether compound represented by formula (1) below with an acid fluoride represented by formula (2) in the presence of lithium salt or sodium salt (in the formulae, R1 and R2 each represent a C1-3 alkyl, and R1 and R2 may be bonded to each other to form a ring structure; R3 represents a hydrogen atom, methyl, or ethyl; and R4 and R5 each represent methyl or ethyl).

MANUFACTURING METHOD OF FLUORINATED HYDROCARBON

PROBLEM TO BE SOLVED: To provide a method for industrially advantageously manufacturing fluorinated hydrocarbon (3). SOLUTION: There is provided a method for manufacturing fluorinated hydrocarbon represented by the formula (3), including contacting a secondary or tertiary ether compound represented by the formula (1) and acid fluoride represented by the formula (2) in the presence of a silver salt in a hydrocarbon solvent. R1 and R2 are each independently a C1 to 3 alkyl group, R1 and R2 may bind to form a ring structure, R3 is H, a methyl group or an ethyl group, R4 and R5 are each independently a methyl group or an ethyl group. SELECTED DRAWING: None COPYRIGHT: (C)2018,JPOandINPIT

Catalytic formation of C(sp3)-F bonds via decarboxylative fluorination with mechanochemically-prepared Ag2O/TiO2 heterogeneous catalysts

Mechanochemically-prepared, Ag2O-containing solid materials, are shown to be efficient heterogeneous catalysts for the synthesis of C(sp3)-F bonds via decarboxylative fluorination. Five catalytic cycles without loss of intrinsic activity could be performed with the optimal catalyst, composed of 1 wt% Ag2O supported on TiO2 (P25), despite the challenging conditions. The catalyst is easily prepared from the corresponding oxides in 20 minutes by simple mechanical mixing methods. In addition to ease of separation and re-use, the turnover numbers obtained over the solid catalyst are over one order of magnitude higher than those obtained with the state-of-the-art homogeneous catalyst, AgNO3, under otherwise identical conditions. To the best of our knowledge, this represents the first true heterogeneous catalyst for the selective formation of C(sp3)-F bonds with electrophilic fluorine donors, representing a major breakthrough in the field of catalytic fluorination.