1,1,1-Trifluoroheptan-2-one

Base Information

Chemical Name:1,1,1-Trifluoroheptan-2-one
CAS No.:453-41-8
Molecular Formula:C7H11F3O
Molecular Weight:168.159
Hs Code.:
ChEMBL ID:CHEMBL92681
DSSTox Substance ID:DTXSID601310610
Nikkaji Number:J630.351J

Synonyms:1,1,1-trifluoroheptan-2-one;1,1,1-Trifluoro-heptan-2-one;CHEMBL92681;453-41-8;SCHEMBL463411;1,1,1-Trifluoro-2-heptanone;IEERMGHTUVPIFB-UHFFFAOYSA-N;DTXSID601310610;BDBM50073988;AKOS012260514

Suppliers and Price of 1,1,1-Trifluoroheptan-2-one

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 1 raw suppliers

Chemical Property of 1,1,1-Trifluoroheptan-2-one

Chemical Property:

XLogP3:3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:168.07619946
Heavy Atom Count:11
Complexity:128

Purity/Quality:: 95% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 1,1,1-Trifluoroheptan-2-one

There total 1 articles about 1,1,1-Trifluoroheptan-2-one 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:

: 105439-84-7
1,1,1-trifluormethylhept-3-yn-2-one

: 453-41-8
1,1,1-trifluoro-2-heptanone

: (E)-1,1,1-Trifluoro-hept-3-en-2-one

: (+)-1,1,1-trifluoro-3-heptyn-2-ol

: (-)-1,1,1-trifluoro-3-heptyn-2-ol

Guidance literature:: With disodium hydrogenphosphate; potassium dihydrogenphosphate; starch; at 35 - 36 ℃; for 120h; Further byproducts given. Yields of byproduct given; microbial transformation with baker's yeast; pH 7.3;
DOI:10.1016/S0022-1139(00)80888-X

Reference yield:

: 453-41-8
1,1,1-trifluoro-2-heptanone

: 61165-60-4,61165-73-9
Trifluoro-methanesulfonatetrimethyl-[4-((1R,2R)-1-methyl-2-trifluoromethyl-heptyloxysulfonyl)-phenyl]-ammonium;

Guidance literature:: Multi-step reaction with 5 steps

1: KOtBu / diethyl ether

2: aq. HClO₄ / diethyl ether

3: Mg / diethyl ether

4: Py

With pyridine; perchloric acid; potassium tert-butylate; magnesium; In diethyl ether;
DOI:10.1021/ja00437a033

Reference yield:

: 453-41-8
1,1,1-trifluoro-2-heptanone

: 61165-57-9
4-Dimethylamino-benzenesulfonic acid (1R,2S)-1-methyl-2-trifluoromethyl-heptyl ester

Guidance literature:: Multi-step reaction with 4 steps

1: KOtBu / diethyl ether

2: aq. HClO₄ / diethyl ether

3: Mg / diethyl ether

4: Py

With pyridine; perchloric acid; potassium tert-butylate; magnesium; In diethyl ether;
DOI:10.1021/ja00437a033