3,3,4,4,5,5,6,6,6-Nonafluorohexanal

Base Information

• Chemical Name: 3,3,4,4,5,5,6,6,6-Nonafluorohexanal
• CAS No.: 135984-67-7
• Molecular Formula: C6H3F9O
• Molecular Weight: 262.075
• DSSTox Substance ID: DTXSID80895239
• Nikkaji Number: J601.170E
• Wikidata: Q82871421
• Mol file: 135984-67-7.mol

Synonyms:3,3,4,4,5,5,6,6,6-Nonafluorohexanal;135984-67-7;4:2 Fluorotelomer aldehyde;4:2 FTAL;DTXSID80895239;PLXBWBKXCKSJRL-UHFFFAOYSA-N;2-(Perfluoro-n-butyl)acetaldehyde

Chemical Property of 3,3,4,4,5,5,6,6,6-Nonafluorohexanal

Chemical Property:

• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 4
• Exact Mass: 262.00401817
• Heavy Atom Count: 16
• Complexity: 266

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 3,3,4,4,5,5,6,6,6-Nonafluorohexanal

There total 2 articles about 3,3,4,4,5,5,6,6,6-Nonafluorohexanal 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:

1H,1H,2H,2H-nonafluoro-1-hexanol (2043-47-2) → Carbonyl fluoride (353-50-4) + Perfluoropentanoic acid (2706-90-3) + 3,3,4,4,5,5,6,6,6-Nonafluoro-hexanal (135984-67-7) + 3,3,4,4,5,5,6,6,6-nonafluorohexanoic acid (70887-89-7)

Guidance literature:

With air; chlorine; at 22.85 ℃; under 750 Torr; Product distribution; UV-irradiation;

DOI:10.1021/es049860w

Reference yield:

vinyl acetate (108-05-4,9003-20-7) + 1-iodo-2,2,3,3,4,4,5,5,5-nonafluorobutane (423-39-2) → 3,3,4,4,5,5,6,6,6-Nonafluoro-hexanal (135984-67-7) + Acetic acid 3,3,4,4,5,5,6,6,6-nonafluoro-hexyl ester (80705-15-3) + Acetic acid 3,3,4,4,5,5,6,6,6-nonafluoro-1-iodo-hexyl ester (142502-57-6) + 1,4-bis(perflurobutyl)butane-2,3-diol diacetate (80705-16-4)

Guidance literature:

With zinc; In neat (no solvent); at 25 ℃; for 5h; Product distribution; other perfluoroalkyliodides, influence of solvent, size of Zn particles;

DOI:10.1016/S0040-4039(00)92222-6

Reference yield: 10.0%

3,3,4,4,5,5,6,6,6-Nonafluoro-hexanal (135984-67-7) + acetophenone (98-86-2) → 2-methyl-2-phenyl-4-heptafluoropropyl-1,2-dihydropyrimidine

Guidance literature:

3,3,4,4,5,5,6,6,6-Nonafluoro-hexanal; With ammonia; zinc(II) chloride; In tetrahydrofuran; at 20 ℃;

acetophenone; In tetrahydrofuran; at 50 ℃; Further stages.;

DOI:10.1016/j.tet.2007.04.010

upstream raw materials:

vinyl acetate

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

1H,1H,2H,2H-nonafluoro-1-hexanol

Downstream raw materials:

3-(heptafluoropropyl)pyrazole