1,1,1-Trifluoroheptadecan-2-one

Base Information

Chemical Name:1,1,1-Trifluoroheptadecan-2-one
CAS No.:141022-99-3
Molecular Formula:C₁₇H₃₁F₃O
Molecular Weight:308.428
Hs Code.:
European Community (EC) Number:634-260-7
DSSTox Substance ID:DTXSID00274441
Nikkaji Number:J746.028G
Wikidata:Q82003801
ChEMBL ID:CHEMBL99344
Mol file:141022-99-3.mol

Synonyms:PACOCF3;palmitoyl trifluoromethyl ketone

Suppliers and Price of 1,1,1-Trifluoroheptadecan-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

Usbiological
PACOCF3
10mg
$ 366.00

TRC
PACOCF3
250mg
$ 800.00

TRC
PACOCF3
25mg
$ 100.00

Tocris
PACOCF3 ≥99%(HPLC)
10
$ 125.00

Sigma-Aldrich
PYK2 (360-690), active, His tagged human PRECISIO? Kinase, recombinant, expressed in baculovirus infected Sf9 cells, ≥70% (SDS-PAGE), buffered aqueous glycerol solution
10 μg
$ 423.00

Sigma-Aldrich
PYK2 (360-690), active, His tagged human
10ug
$ 392.00

Sigma-Aldrich
Palmityl trifluoromethyl ketone phosholipase A2 inhibitor
5mg
$ 82.40

Sigma-Aldrich
PACOCF? A novel Ca
5mg
$ 64.19

Cayman Chemical
Palmityl Trifluoromethyl Ketone ≥98%
10mg
$ 54.00

Cayman Chemical
Palmityl Trifluoromethyl Ketone ≥98%
5mg
$ 36.00

Total 9 raw suppliers

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

Chemical Property:

Vapor Pressure:0.000183mmHg at 25°C
Refractive Index:1.417
Boiling Point:329°Cat760mmHg
Flash Point:227.1°C
PSA：17.07000
Density:0.955g/cm³
LogP:6.59910
Storage Temp.:−20°C
Solubility.:Soluble in DMSO
XLogP3:8.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:14
Exact Mass:308.23270009
Heavy Atom Count:21
Complexity:249

Purity/Quality:

98%min ^*data from raw suppliers

PACOCF3 ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:Xi,F
Statements: 36/37/38-11
Safety Statements: 26-36-16

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCCCCCCCCCCCC(=O)C(F)(F)F
Description PTK is an analog of palmitic acid in which the COOH group is replaced by trifluoromethyl ketone. In P388D1 cells, PTK inhibits iPLA2 activity with an IC50 value of 3.8 μM. A related compound, ATK is a less potent inhibitor of iPLA2 with an IC50 value of 15 μM. PTK also inhibits the activity of cPLA2 with an IC50 value almost identical to that of ATK.
Uses PACOCF3 is an inductors of BLM, an artificial lipid membranes and liposome permeabilization. Phospholipase A2 inhibitor.

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

There total 2 articles about 1,1,1-Trifluoroheptadecan-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: 81.0%

: 407-25-0
trifluoroacetic anhydride

: 112-67-4
n-hexadecanoyl chloride

: 141022-99-3
1,1,1-trifluoro-2-heptadecanone

Guidance literature:: With pyridine; In diethyl ether; at 20 ℃; for 0.8h; other carboxylic acid chlorides;
DOI:10.1016/S0040-4039(00)91602-2

Reference yield: 60.0%

: 408-35-5
sodium palmitate

: 407-25-0
trifluoroacetic anhydride

: 141022-99-3
1,1,1-trifluoro-2-heptadecanone

Guidance literature:: With pyridine; In diethyl ether; at 20 ℃; for 2h;
DOI:10.1016/S0040-4039(00)91602-2

Reference yield:

: 24973-59-9
2,4,6-tri-tert-butyl-1-nitrosobenzene

: 141022-99-3
1,1,1-trifluoro-2-heptadecanone

: 1221254-27-8
C₃₅H₅₉F₃NO₂

Guidance literature:: 2,4,6-tri-tert-butyl-1-nitrosobenzene; 1,1,1-trifluoro-2-heptadecanone; With di-tert-butyl peroxide; at 20 ℃; UV-irradiation; neat (no solvent);

at 20 ℃; for 24h; Darkness;
DOI:10.1002/mrc.2566