2-Butyltetrahydrofuran

Base Information

• Chemical Name: 2-Butyltetrahydrofuran
• CAS No.: 1004-29-1
• Molecular Formula: C8H16 O
• Molecular Weight: 128.214
• Hs Code.: 2932190090
• European Community (EC) Number: 213-718-6
• DSSTox Substance ID: DTXSID70862511
• Nikkaji Number: J133.587A
• Wikidata: Q27118099
• Metabolomics Workbench ID: 56125
• Mol file: 1004-29-1.mol

Synonyms:2-BUTYLTETRAHYDROFURAN;2-butyloxolane;1004-29-1;Furan, 2-butyltetrahydro-;1,4-epoxyoctane;2-Butyl-tetrahydrofuran;Octane, 1,4-epoxy-;EINECS 213-718-6;2-n-butyltetrahydrofuran;SCHEMBL176407;CHEBI:39028;DTXSID70862511;Q27118099

Chemical Property of 2-Butyltetrahydrofuran

Chemical Property:

• Vapor Pressure: 3.36mmHg at 25°C
• Boiling Point: 158.7°Cat760mmHg
• Flash Point: 40.5°C
• PSA: 9.23000
• Density: 0.852g/cm³
• LogP: 2.35560
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 128.120115130
• Heavy Atom Count: 9
• Complexity: 71

Purity/Quality:

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

2-BUTYLTETRAHYDROFURAN 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Solvents -> Ethers (
• Canonical SMILES: CCCCC1CCCO1

Technology Process of 2-Butyltetrahydrofuran

There total 49 articles about 2-Butyltetrahydrofuran 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: 83.0%

4-tetrahydrofuran-2-yl-butan-2-ol (3208-43-3,4527-76-8) → 2-butanyltetrahydrofuran (1004-29-1)

Guidance literature:

With hydrogen; 1-ethyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide; at 125 ℃; for 16h; under 60006 Torr; Autoclave;

DOI:10.1039/c4sc02033b

Reference yield: 66.6%

4-tetrahydrofuran-2-yl-butan-2-ol (3208-43-3,4527-76-8) → 2-butanyltetrahydrofuran (1004-29-1) + octanol (111-87-5)

Guidance literature:

With 1-(4-butylcarboxylic acid)-3-(n-butyl)-imidazolium bis(trifluoromethylsulfonyl)imide; hydrogen; at 120 ℃; for 15h; under 90009 Torr; Reagent/catalyst; Ionic liquid;

Reference yield: 58.6%

4-tetrahydrofuran-2-yl-butan-2-ol (3208-43-3,4527-76-8) → 2-butanyltetrahydrofuran (1004-29-1) + octanol (111-87-5) + di-n-octyl ether (629-82-3)

Guidance literature:

With ruthenium-carbon composite; 1-(4-butylcarboxylic acid)-3-(n-butyl)-imidazolium bis(trifluoromethylsulfonyl)imide; hydrogen; at 150 ℃; for 15h; under 90009 Torr; Reagent/catalyst; Ionic liquid;

upstream raw materials:

2-(3-chloro-butyl)-tetrahydro-furan

4-(furan-2-yl)but-3-en-2-one

(E)-oct-4-en-1-ol

tetrahydrofuran

Downstream raw materials:

acetoxy-1 octene-4

(3E)-octenyl acetate

octane

di-n-octyl ether

Refernces

• 1、 Tyagi, Akanksha,Yamamoto, Akira,Yamamoto, Muneaki,Yoshida, Tomoko,Yoshida, Hisao. "Direct cross-coupling between alkenes and tetrahydrofuran with a platinum-loaded titanium oxide photocatalyst". . p. 2546 - 2556. Retrieved 2018.
• 2、 Julis, Jennifer,Leitner, Walter. "Synthesis of 1-octanol and 1,1-dioctyl ether from biomass-derived platform chemicals". . p. 8615 - 8619. Retrieved 2012.
• 3、 Luska, Kylie L.,Julis, Jennifer,Stavitski, Eli,Zakharov, Dmitri N.,Adams, Alina,Leitner, Walter. "Bifunctional nanoparticle-SILP catalysts (NPs@SILP) for the selective deoxygenation of biomass substrates". . p. 4895 - 4905. Retrieved 2014.
• 4、 Baldwin, Lawrence C.,Davis, Matthew C.,Hughes, Alicia M.,Lupton, David V.. "Potential Vegetable-Based Diesel Fuels from Perkin Condensation of Furfuraldehyde and Fatty Acid Anhydrides". . p. 571 - 583. Retrieved 2019.