4,4,5,5,6,6,7,7,7-Nonafluoro-2-hepten-1-ol

Base Information

• Chemical Name: 4,4,5,5,6,6,7,7,7-Nonafluoro-2-hepten-1-ol
• CAS No.: 72016-05-8
• Molecular Formula: C7H5F9O
• Molecular Weight: 276.102
• Hs Code.: 2909498090
• DSSTox Substance ID: DTXSID80895294
• Mol file: 72016-05-8.mol

Synonyms:4,4,5,5,6,6,7,7,7-nonafluoro-2-hepten-1-ol;SCHEMBL5344309;DTXSID80895294;PJZRJKWUZCHGGW-UHFFFAOYSA-N;3-(Perfluorobutyl)-2-propen-1-ol;FT-0613844;A837399;4,4,5,5,6,6,7,7,7-nonakis(fluoranyl)hept-2-en-1-ol

Chemical Property of 4,4,5,5,6,6,7,7,7-Nonafluoro-2-hepten-1-ol

Chemical Property:

• Vapor Pressure: 4.6mmHg at 25°C
• Refractive Index: 1.334
• Boiling Point: 129.3 °C at 760 mmHg
• Flash Point: 32 °C
• PSA: 20.23000
• Density: 1.497 g/cm³
• LogP: 3.00310
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 4
• Exact Mass: 276.01966824
• Heavy Atom Count: 17
• Complexity: 290

Purity/Quality:

97% ^*data from raw suppliers

1H,1H,2H,3H-Nonafluorohept-2-en-1-ol 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(C=CC(C(C(C(F)(F)F)(F)F)(F)F)(F)F)O

Technology Process of 4,4,5,5,6,6,7,7,7-Nonafluoro-2-hepten-1-ol

There total 3 articles about 4,4,5,5,6,6,7,7,7-Nonafluoro-2-hepten-1-ol 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: 74.0%

1-iodo-2,2,3,3,4,4,5,5,5-nonafluorobutane (423-39-2) + propargyl alcohol (107-19-7) → (E)-4,4,5,5,6,6,7,7,7-Nonafluoro-hept-2-en-1-ol (72016-05-8)

Guidance literature:

With copper(l) iodide; zinc; In tetrahydrofuran; for 2h; Heating; Irradiation;

DOI:10.1246/cl.1982.1453

Reference yield: 60.0%

1-iodo-2,2,3,3,4,4,5,5,5-nonafluorobutane (423-39-2) + allyl alcohol (107-18-6) → nonafluorobutane (375-17-7) + Perfluorooctane (307-34-6) + (E)-4,4,5,5,6,6,7,7,7-Nonafluoro-hept-2-en-1-ol (72016-05-8) + 3?(perfluoro?n?butyl)?1,2?epoxypropane (81190-28-5)

Guidance literature:

With potassium hydroxide; 2,2'-azobis(isobutyronitrile); In 1,2-dichloro-ethane; at 70 ℃; for 2h;

DOI:10.1016/S0022-1139(00)00214-1

Reference yield: 51.0%

nonafluoro-1-bromobutane (375-48-4) + propargyl alcohol (107-19-7) → (E)-4,4,5,5,6,6,7,7,7-Nonafluoro-hept-2-en-1-ol (72016-05-8)

Guidance literature:

With copper(l) iodide; zinc; In tetrahydrofuran; Irradiation;

DOI:10.1021/ja00304a026

upstream raw materials:

nonafluoro-1-bromobutane

propargyl alcohol

1-iodo-2,2,3,3,4,4,5,5,5-nonafluorobutane

allyl alcohol