7040-42-8

Basic information

• Product Name: 3-tert-butylfuran
• Synonyms: 3-tert-Butylfuran; furan, 3-(1,1-dimethylethyl)-
• CAS NO: 7040-42-8
• Molecular Formula: C₈H₁₂O
• Molecular Weight: 124.1803
• Mol File: 7040-42-8.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 132.7°C at 760 mmHg
• Flash Point: 22.2°C
• Density: 0.893g/cm³
• Vapor Pressure: 10.8mmHg at 25°C
• Refractive Index: 1.444
• CAS DataBase Reference: 3-tert-butylfuran(CAS DataBase Reference)
• NIST Chemistry Reference: 3-tert-butylfuran(7040-42-8)
• EPA Substance Registry System: 3-tert-butylfuran(7040-42-8)

Safety Data

• Hazardous Substances Data: 7040-42-8(Hazardous Substances Data)

Upstream product

• 110-00-9 furan 
• 463-82-1 2,2-dimethylpropane 
• 7040-43-9 2-tert-butylfuran 
• 36976-66-6 4-tert-Butyl-2(5H)-furanone 
• 2495-32-1 4,4-dimethyl-3-methylenepent-1-ene 
• 3732-61-4 3,4,4-trimethyl-1-penten-3-ol 

Relevant articles and documents

UNEXPECTED REGIOSELECTIVE DIELS-ALDER CYCLOADDITION REACTIONS BETWEEN 3-FLUOROBENZYNE AND 2-ALKYLFURANS

The Diels-Alder reaction between 3-fluorobenzyne (1) and 2-alkylfurans (2) gives a mixture of syn adduct 3 and anti adduct 4.The syn cycloadduct invariably predominates and the regioselectivity increases in the order: R= Me Et i-Pr t-Bu, to a maximum of 90percent syn adduct 3d for 2-tert-butylfuran.These results are rationalized in terms of a concerted nonsynchronous transition state that reflects an alkyl steric effect and a polarized aryne 1.

Gas-phase Heteroaromatic Substitution. Part 4. Electrophilic Attack of t-Butyl Cation on Pyrrole, N-Methylpyrrole, Furan, and Thiophene

t-Butyl cation, obtained in the gas state from the γ-radiolysis of neopentane has been allowed to react with pyrrole (1), N-methylpyrrole (2), furan (3), and thiophene (4).Experiments have been carried out in the pressure range 50-760 Torr and in the presence of variable concentrations of a gaseous base (NMe3).The reactivity of simple heteroaromatic compounds relative to toluene in competition experiments is found to depend markedly upon the composition of the gaseous reaction environment.The apparent kS/kT ratios decrease slightly with increasing pressure.At atmospheric pressure, these ratios increase with the NMe3 concentration levelling off to a value of 1.0 (1), 2.2 (2), 2.6 (3), and 0.6 (4), at the highest base concentration (PNMe3=10 Torr).Under the same conditions, predominant β substitution occurs in the pyrroles , whereas α-attack is favoured in the case of furan (β:α=9:91) and thiophene (β:α=20:80).The gaseous elecrophile appears rather unselective between the n- and the ?-type centres of furan (O:ring=50:50) and thiophene (S:ring=40:60), while it displays no or very limited substitution on the heteroatom of pyrroles.A mechanism based upon reversible addition of the t-butyl cation to the heteroaromatic nucleus, involving premilinary formation of an electrostatic adduct, is used to account for the formation of the t-butylated products and their isomeric composition.It is concluded that the gas-phase t-butyl alkylation of simple five-membered heteroaromatic compounds is regulated by electrostatic interactions established within the encounter pair.A close correspondence exists between this rationalization of the present gas-phase results and recent theoretical and experimental evidence concerning related alkylation processes.