3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-Heptadecafluorononyl)-4-(iodomethyl)oxolane

Base Information

• Chemical Name: 3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-Heptadecafluorononyl)-4-(iodomethyl)oxolane
• CAS No.: 131771-31-8
• Molecular Formula: C₁₄H₁₀F₁₇IO
• Molecular Weight: 644.11
• DSSTox Substance ID: DTXSID20379422
• Mol file: 131771-31-8.mol

Synonyms:131771-31-8;3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononyl)-4-(iodomethyl)oxolane;3-(Iodomethyl)-4-(1H,1H-perfluorononyl)-tetrahydrofuran;3-(Iodomethyl)-4-(1H,1H-perfluorononyl)tetrahydrofuran;Furan, 3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononyl)tetrahydro-4-(iodomethyl)-;DTXSID20379422;QBAODHXWEYFWJU-UHFFFAOYSA-N;MFCD01320758;AKOS025312316;FT-0676431;3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononyl)-4-(iodomethyl)tetrahydrofuran

Chemical Property of 3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-Heptadecafluorononyl)-4-(iodomethyl)oxolane

Chemical Property:

• Vapor Pressure: 0.000815mmHg at 25°C
• Melting Point: 82-83
• Refractive Index: 1.366
• Boiling Point: 315.3°C at 760 mmHg
• Flash Point: 144.5°C
• PSA: 9.23000
• Density: 1.76g/cm³
• LogP: 7.08350
• XLogP3: 7.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 18
• Rotatable Bond Count: 9
• Exact Mass: 643.95049
• Heavy Atom Count: 33
• Complexity: 700

Purity/Quality:

98%min ^*data from raw suppliers

3-(Iodomethyl)-4-(1H,1H-perfluorononyl)tetrahydrofuran ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(C(CO1)CI)CC(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

Technology Process of 3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-Heptadecafluorononyl)-4-(iodomethyl)oxolane

There total 2 articles about 3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-Heptadecafluorononyl)-4-(iodomethyl)oxolane 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: 72.0%

1-iodoheptadecafluorooctane (507-63-1) + Allyl ether (557-40-4) → 3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-Heptadecafluoro-nonyl)-4-iodomethyl-tetrahydro-furan (131771-31-8)

Guidance literature:

With triphenylphosphine; In acetonitrile; at 70 - 75 ℃; for 6.5h;

DOI:10.1016/S0022-1139(00)82185-5

Reference yield:

→ (3S,4R)-3-(2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-Heptadecafluoro-nonyl)-4-iodomethyl-tetrahydro-furan (131771-31-8)

Guidance literature:

aus 1-Iodo-F-octan u. Diallylether;

DOI:10.1021/jo01316a011

upstream raw materials:

1-iodoheptadecafluorooctane

Allyl ether