2-Butylfuran

Base Information

• Chemical Name: 2-Butylfuran
• CAS No.: 4466-24-4
• Molecular Formula: C8H12O
• Molecular Weight: 124.183
• Hs Code.: 2932190090
• European Community (EC) Number: 224-732-7
• UNII: 81JV9ZYK0D
• DSSTox Substance ID: DTXSID8073340
• Nikkaji Number: J45.583K
• Wikidata: Q27161938
• Metabolomics Workbench ID: 48957
• Mol file: 4466-24-4.mol

Synonyms:2-BUTYLFURAN;4466-24-4;Furan, 2-butyl-;2-n-Butylfuran;2-n-Butyl furan;2-butyl furan;UNII-81JV9ZYK0D;81JV9ZYK0D;EINECS 224-732-7;2-butyl-furan;2-(But-1-yl)fura;2-(But-1-yl)furan;2-Butylfuran, AldrichCPR;2-BUTYLFURAN [FHFI];SCHEMBL256700;DTXSID8073340;FEMA NO. 4081;CHEBI:89750;NWZIYQNUCXUJJJ-UHFFFAOYSA-;MFCD00047071;AKOS025396869;PS-4850;SB60946;2-Butylfuran 100 microg/mL in Acetonitrile;B2412;CS-0152344;FT-0613148;2-Butylfuran 1000 microg/mL in Acetonitrile;D88935;EN300-7396471;Q27161938

Chemical Property of 2-Butylfuran

Chemical Property:

• Vapor Pressure: 5.92mmHg at 25°C
• Refractive Index: 1.453
• Boiling Point: 146.2 °C at 760 mmHg
• Flash Point: 31.1 °C
• PSA: 13.14000
• Density: 0.899 g/cm³
• LogP: 2.62220
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: DMSO, Methanol (Slightly)
• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 124.088815002
• Heavy Atom Count: 9
• Complexity: 71

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Butylfuran ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 10-22
• Safety Statements: 7-33-43-60

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC1=CC=CO1
• Uses: 2-Butylfuran is part of the aroma profile of buckwheat tea and is a reagent in the arylation of heteroarenes.

Technology Process of 2-Butylfuran

There total 28 articles about 2-Butylfuran 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: 85.0%

furan (110-00-9) + 1-bromo-butane (109-65-9) → 2-Butylfuran (4466-24-4)

Guidance literature:

With n-butyllithium; In tetrahydrofuran; 0 deg C, room temperature, 4 h;

DOI:10.1021/jo952284p

Reference yield: 80.0%

furfural tosylhydrazone (18708-18-4) + n-propylmagnesium bromide (927-77-5) → 2-Butylfuran (4466-24-4)

Guidance literature:

In tetrahydrofuran; at 20 ℃; for 2h;

DOI:10.1016/S0040-4039(00)00219-7

Reference yield: 75.0%

furan (110-00-9) + 1-iodo-butane (542-69-8) → 2-Butylfuran (4466-24-4)

Guidance literature:

furan; With n-butyllithium; In tetrahydrofuran; hexane; at -78 - -20 ℃;

1-iodo-butane; In tetrahydrofuran; hexane; at -20 - 20 ℃;

DOI:10.1021/jo030083c

upstream raw materials:

2-bromomethylfuran

n-propylmagnesium bromide

(2-furyl)methyl alcohol

propylmagnesium iodide

Downstream raw materials:

octan-4-one

2-cyclohexyl-5-butylfuran

N-[3-(5-Butyl-furan-2-yl)-cyclohex-(Z)-ylidene]-N'-(2,4-dinitro-phenyl)-hydrazine

1-n-butyl-5-tert-butyldimethylsilyl-1,4-epoxy-7-phenyl-1,4-dihydronaphthalene

Refernces

Dichlorido(3-chloropyridine-N)[1,3-dialkylbenzimidazol-2-ylidene]palladium(II) complexes: Synthesis, characterization and catalytic activity in the arylation reaction

10.1016/j.ica.2015.01.019

This research details the synthesis, characterization, and evaluation of six novel Pyridine Enhanced Precatalyst Preparation, Stabilization, and Initiation (PEPPSI) themed palladium N-heterocyclic carbene (Pd-NHC) complexes (2a-f) for their catalytic activity in direct arylation reactions. The purpose of the study was to create and test new Pd-NHC complexes for their efficiency in catalyzing the arylation of heteroaromatic compounds with aryl bromides. The researchers synthesized the complexes using 1,3-dialkylbenzimidazolium salts, PdCl2, and K2CO3 in 3-chloropyridine, and characterized them using elemental analysis and spectroscopic methods including FT-IR, 1H and 13C NMR. The conclusions of the study indicated that these complexes, when used as catalysts in the direct arylation of 2-n-propylthiazole, 2-n-butylthiophene, and 2-n-butylfuran with different aryl bromides at 130°C for 1 hour, exhibited high catalytic activities, suggesting their potential use in organic chemistry for the formation of aryl-aryl bonds.