2-Hexanone, 1,1-difluoro-1-iodo-

Base Information

• Chemical Name: 2-Hexanone, 1,1-difluoro-1-iodo-
• CAS No.: 150542-09-9
• Molecular Formula: C₆H₉F₂IO
• Molecular Weight: 262.038
• DSSTox Substance ID: DTXSID60439690
• Nikkaji Number: J683.543K
• Mol file: 150542-09-9.mol

Synonyms:2-Hexanone, 1,1-difluoro-1-iodo-;150542-09-9;DTXSID60439690;1-Iodo-1,1-difluoro-2-hexanone

Chemical Property of 2-Hexanone, 1,1-difluoro-1-iodo-

Chemical Property:

• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 261.96662
• Heavy Atom Count: 10
• Complexity: 125

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCC(=O)C(F)(F)I

Technology Process of 2-Hexanone, 1,1-difluoro-1-iodo-

There total 2 articles about 2-Hexanone, 1,1-difluoro-1-iodo- 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:

(1-Difluoromethylene-pentyloxy)-trimethyl-silane (169827-06-9) → n-butyl iododifluoromethyl ketone (150542-09-9)

Guidance literature:

With iodine; In acetonitrile; for 20h; Yield given; Heating;

DOI:10.1021/jo00122a044

Reference yield:

Chlorodifluoromethyl n-butyl ketone → n-butyl iododifluoromethyl ketone (150542-09-9)

Guidance literature:

Multi-step reaction with 2 steps

1: Zn / acetonitrile

2: iodine / acetonitrile / 20 h / Heating

With iodine; zinc; In acetonitrile;

DOI:10.1021/jo00122a044

Reference yield: 100.0%

acrylonitrile (107-13-1,25014-41-9) + n-butyl iododifluoromethyl ketone (150542-09-9) → 2,2-difluoro-1-phenylethanone (395-01-7)

Guidance literature:

for 48h; Irradiation;

DOI:10.1021/jo00126a032

upstream raw materials:

(1-Difluoromethylene-pentyloxy)-trimethyl-silane

Downstream raw materials:

2,2-difluoro-1-phenylethanone