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:

2-butyl-adipic acid

2-propyl-1,7-heptandioic acid

1,4-diacetoxy-octane

1,4-dibromo-octane

Refernces

Hetero-double-helix formation by an ethynylhelicene oligomer possessing perfluorooctyl side chains

10.1021/jo8010057

The study focuses on the synthesis and characterization of ethynylhelicene oligomers with perfluorooctyl side chains, ranging from monomers to pentamers. Utilizing circular dichroism (CD) and vapor pressure osmometry (VPO), the research demonstrates the formation of a helix-dimer, particularly in the case of the pentamer within trifluoromethylbenzene at low temperatures and specific concentrations. A comparison between the perfluorooctyl and decyloxycarbonyl side-chained pentamers reveals that the former exhibits lower solubility in organic solvents, forms a more thermodynamically stable helix-dimer, and shows an inverted mirror image CD spectrum. Additionally, the perfluorooctyl pentamer is found to form a hetero-helix dimer with a decyloxycarbonyl pentamer, indicating a higher stability for the hetero-helix dimer over the homo-helix dimers. This work contributes to the understanding of double-helix structures in synthetic oligomers and their potential applications in supramolecular chemistry.

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