4789-40-6

Basic information

• Product Name: 2,5-Di(tert-butyl)furan
• Synonyms: 2,5-Di(tert-butyl)furan;2,5-Di-tert-butylfuran
• CAS NO: 4789-40-6
• Molecular Formula: C₁₂H₂₀O
• Molecular Weight: 180.2866
• Mol File: 4789-40-6.mol
• Article Data: 8

Chemical Properties

• Boiling Point: 210.05°C
• Flash Point: 72.1°C
• Appearance: /
• Density: 0.8370
• Vapor Pressure: 0.285mmHg at 25°C
• Refractive Index: 1.4369
• CAS DataBase Reference: 2,5-Di(tert-butyl)furan(CAS DataBase Reference)
• NIST Chemistry Reference: 2,5-Di(tert-butyl)furan(4789-40-6)
• EPA Substance Registry System: 2,5-Di(tert-butyl)furan(4789-40-6)

Safety Data

• Hazardous Substances Data: 4789-40-6(Hazardous Substances Data)

Usage

Physical state

Colorless liquid

Odor

Sweet, fruity

Uses

Flavor and fragrance ingredient, potential pharmaceutical applications, solvent, and intermediate in organic synthesis

Stability

Relatively stable and non-reactive

Precautions

May be harmful if swallowed, inhaled, or absorbed through the skin

InChI:InChI=1/C12H20O/c1-11(2,3)9-7-8-10(13-9)12(4,5)6/h7-8H,1-6H3

Upstream product

• 110-00-9 furan 
• 507-20-0 tertiary butyl chloride 
• 507-19-7 t-butyl bromide 
• 5857-37-4 2-furylmercuric chloride 
• 60-29-7 diethyl ether 
• 7637-07-2 boron trifluoride 
• 115-11-7 isobutene 
• 7040-43-9 2-tert-butylfuran 
• 75-65-0 tert-butyl alcohol 
• 75-97-8 3,3-dimethyl-butan-2-one 
• 27610-88-4 2,2,7,7-tetramethyloctan-3,6-dione 
• 64-17-5 ethanol 
• 67-66-3 chloroform 

Downstream Products

• 19576-21-7 1-(2-tert-butyl-cycloprop-2-enyl)-2,2-dimethyl-propan-1-one 
• 19377-97-0 2,2,7,7-tetramethyl-octa-4,5-dien-3-one 

Relevant articles and documents

Preparation of Sterically Crowded t-Butylfurans by Direct t-Butylation and Cyclisation of t-Butyl Substituted 1,4-Diketones. Selective Dehydrodimerisation of Neopentyl Ketones by Lead Dioxide

o-Di-t-butylfurans can be obtained in high yields via Friedel-Crafts alkylation and via cyclisation of 1,4-diketones, but minor differences in the substitution pattern of the starting materials prevent o-di-t-butylation, or govern escape reactions to relieve the steric strain.

An Electron Spin Resonance Study of the Radical Cations of Pyrroles, Furans, and Thiophenes in Liquid Solution

Photolysis of alkylpyrroles in trifluoroacetic acid containing mercury(II) trifluoroacetate, alkylfurans in trifluoroacetic acid, or alkylthiophenes in sulphuric acid, induces oxidation to the corresponding radical cations.The e.s.r. spectra show that the electronic configuration is similar in all three species, the unpaired electron occupying the φA MO in which the heteroatom lies in a nodal plane.Photolysis of 2,6-dimethyl- and 2,6-diethyl-thiophene in trifluoroacetic acid containing mercury(II) trifluoroacetate, on the other hand, gave rise to spectra with a high g value (2.0062), showing hyperfine coupling to two non-equivalent pairs of alkyl groups in an unsymmetrical dimer.

ALKYLATION OF FURAN AND THIOPHENE WITH tert-BUTANOL IN THE PRESENCE OF THE STRONGLY ACID CATION EXCHANGER AMBERLYST 15

-