Furan, tetrahydro-2-octyl-

Base Information

• Chemical Name: Furan, tetrahydro-2-octyl-
• CAS No.: 5921-92-6
• Molecular Formula: C12H24 O
• Molecular Weight: 184.322
• European Community (EC) Number: 227-649-4
• DSSTox Substance ID: DTXSID40884200
• Nikkaji Number: J223.885C
• Mol file: 5921-92-6.mol

Synonyms:Furan, tetrahydro-2-octyl-;Tetrahydro-2-octylfuran;5921-92-6;EINECS 227-649-4;2-octyltetrahydrofuran;2-octyl-tetrahydro-furan;SCHEMBL4626384;DTXSID40884200

Chemical Property of Furan, tetrahydro-2-octyl-

Chemical Property:

• Vapor Pressure: 0.0741mmHg at 25°C
• Boiling Point: 236.1°C at 760 mmHg
• Flash Point: 83.9°C
• PSA: 9.23000
• Density: 0.851g/cm³
• LogP: 3.91600
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 7
• Exact Mass: 184.182715385
• Heavy Atom Count: 13
• Complexity: 112

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCC1CCCO1

Technology Process of Furan, tetrahydro-2-octyl-

There total 12 articles about Furan, tetrahydro-2-octyl- 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: 92.0%

tetrahydrofuran (109-99-9,24979-97-3,77392-70-2) + 1-bromo-octane (111-83-1) → 2-n-octyltetrahydrofuran (5921-92-6)

Guidance literature:

With bis(acetylacetonate)nickel(II); (4s,6s)-2,4,5,6-tetra(9H-carbazol-9-yl)isophthalonitrile; sodium carbonate; 4,4'-di-tert-butyl-2,2'-bipyridine; sodium bromide; at 25 ℃; for 48h; Inert atmosphere; Irradiation;

DOI:10.1002/adsc.202000167

Reference yield: 79.0%

dodecane-1,4-diol (38146-95-1) → 2-n-octyltetrahydrofuran (5921-92-6)

Guidance literature:

dodecane-1,4-diol; With sodium hydride; In mineral oil; at 20 ℃; for 0.166667h; Inert atmosphere;

With trimethyl phosphite; In mineral oil; at 20 ℃; for 24h; Inert atmosphere;

DOI:10.1039/c7cc01514c

Reference yield: 60.0%

gamma-dodecalactone (57084-18-1,2305-05-7) → 2-n-octyltetrahydrofuran (5921-92-6)

Guidance literature:

With aluminium(III) triflate; tris(2,4-pentanedionato)ruthenium(III); hydrogen; [2-((diphenylphospino)methyl)-2-methyl-1,3-propanediyl]bis[diphenylphosphine]; In tetrahydrofuran; at 140 ℃; for 10h; under 30402 Torr; Autoclave;

DOI:10.1002/anie.201500062

upstream raw materials:

1-(2,2-Dioxo-2λ⁶-[1,2]oxathiolan-3-yl)-nonan-1-ol

1,1-Diethoxy-2-octyl-cyclopentane

tetrahydrofuran

octylmagnesium bromide

Refernces

• 1、 Br?se, Stefan,Koch, Vanessa. "An Intramolecular Iodine-Catalyzed C(sp3)?H Oxidation as a Versatile Tool for the Synthesis of Tetrahydrofurans". supporting information. p. 3478 - 3483. Retrieved 2021/07/22.
• 2、 Asai, Shota,Kato, Maho,Monguchi, Yasunari,Sajiki, Hironao,Sawama, Yoshinari. "Cyclic ether synthesis from diols using trimethyl phosphate". . p. 4787 - 4790. Retrieved 2017/07/06.