2-(tert-Butyl)benzofuran

Base Information

• Chemical Name: 2-(tert-Butyl)benzofuran
• CAS No.: 4265-11-6
• Molecular Formula: C₁₂H₁₄O
• Molecular Weight: 174.243
• Hs Code.: 2932999099
• DSSTox Substance ID: DTXSID50459009
• Nikkaji Number: J885.382G
• Wikidata: Q82282600
• Mol file: 4265-11-6.mol

Synonyms:2-(tert-Butyl)benzofuran;4265-11-6;2-tert-butyl-1-benzofuran;2-tert-butylbenzofuran;2-t-butylbenzofuran;SCHEMBL800706;DTXSID50459009

Chemical Property of 2-(tert-Butyl)benzofuran

Chemical Property:

• Boiling Point: 49 °C(Press: 0.3 Torr)
• PSA: 13.14000
• Density: 1.006±0.06 g/cm3(Predicted)
• LogP: 3.73030
• Storage Temp.: 2-8°C
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 174.104465066
• Heavy Atom Count: 13
• Complexity: 180

Purity/Quality:

95% ^*data from raw suppliers

2-(tert-Butyl)benzofuran 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CC2=CC=CC=C2O1

Technology Process of 2-(tert-Butyl)benzofuran

There total 1 articles about 2-(tert-Butyl)benzofuran which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 59.0%

sodium phenoxide (139-02-6) + 1-(3,3-dimethyl-1-butynylidonio)-4-phenyliodoniobenzene ditriflate → 2-tert-butylbenzo[b]furan (4265-11-6) + (4-iodophenyl)(phenyl)iodonium trifluoromethanesulfonate (144930-55-2)

Guidance literature:

In methanol; at 0 - 20 ℃; for 12h;

Reference yield:

2-tert-butylbenzo[b]furan (4265-11-6) → 3-(2-tert-butyl-benzofuran-3-ylsulfanyl)-4-hydroxy-6-phenethyl-6-phenyl-5,6-dihydro-pyran-2-one

Guidance literature:

Multi-step reaction with 4 steps

1: 84 percent / Br₂ / diethyl ether

2: 1.) n-BuLi, 2.) sulfur / 1.) THF, -78 deg C, 2.) THF, from -78 deg C to RT

3: NaHCO₃

4: 70 percent / NaHCO₃ / ethanol

With n-butyllithium; bromine; sodium hydrogencarbonate; sulfur; In diethyl ether; ethanol;

DOI:10.1016/S0960-894X(99)00332-7

upstream raw materials:

sodium phenoxide

Refernces