1,1,1-Trifluoro-4-(propan-2-ylamino)pent-3-en-2-one

Base Information

Chemical Name:1,1,1-Trifluoro-4-(propan-2-ylamino)pent-3-en-2-one
CAS No.:127223-95-4
Molecular Formula:C₈H₁₂F₃NO
Molecular Weight:195.185
Hs Code.:2922399090
DSSTox Substance ID:DTXSID90375315
Mol file:127223-95-4.mol

Synonyms:1,1,1-trifluoro-4-(propan-2-ylamino)pent-3-en-2-one;127223-95-4;1,1,1-TRIFLUORO-4-(ISOPROPYLAMINO)PENT-3-EN-2-ONE;(Z)-1,1,1-trifluoro-4-(isopropylamino)pent-3-en-2-one;DTXSID90375315;BKNFRFGKUBBQME-UHFFFAOYSA-N;FT-0643062;(E)-1,1,1-trifluoro-4-(propan-2-ylamino)pent-3-en-2-one

Suppliers and Price of 1,1,1-Trifluoro-4-(propan-2-ylamino)pent-3-en-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

Crysdot
1,1,1-Trifluoro-4-(isopropylamino)pent-3-en-2-one 95+%
5g
$ 466.00

American Custom Chemicals Corporation
1,1,1-TRIFLUORO-4-ISOPROPYLAMINOPENT-3-EN-2-ONE 95.00%
5G
$ 1227.06

Total 10 raw suppliers

Chemical Property of 1,1,1-Trifluoro-4-(propan-2-ylamino)pent-3-en-2-one

Chemical Property:

Vapor Pressure:1.84mmHg at 25°C
Boiling Point:165.9°C at 760 mmHg
Flash Point:54.1°C
PSA：29.10000
Density:1.104g/cm³
LogP:2.41050
XLogP3:3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:195.08709849
Heavy Atom Count:13
Complexity:218

Purity/Quality:

98%min ^*data from raw suppliers

1,1,1-Trifluoro-4-(isopropylamino)pent-3-en-2-one 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:
Statements: 36/37/38
Safety Statements: 26-36/37/39

MSDS Files:: SDS file from LookChem

Useful:

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

Technology Process of 1,1,1-Trifluoro-4-(propan-2-ylamino)pent-3-en-2-one

There total 3 articles about 1,1,1-Trifluoro-4-(propan-2-ylamino)pent-3-en-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: 99.0%

: 135351-20-1,102145-82-4
1,1,1-trifluoro-4-methoxypent-3-en-2-one

: 75-31-0
isopropylamine

: 127223-95-4
(Z)-1,1,1-trifluoro-4-(isopropylamino)pent-3-en-2-one

Guidance literature:: In acetonitrile; Ambient temperature;
DOI:10.1016/S0040-4039(01)93334-9

Reference yield: 63.0%

: 367-57-7
1,1,1-Trifluoro-2,4-pentanedione

: 75-31-0
isopropylamine

: 127223-95-4
(Z)-1,1,1-trifluoro-4-(isopropylamino)pent-3-en-2-one

Guidance literature:: With iron(III) trifluoromethanesulfonate; In neat (no solvent); at 20 ℃;
DOI:10.1021/acs.joc.9b02003

Reference yield: 57.0%

: 431-47-0
trifluoroacetic acid-methyl ester

: 108-18-9
diisopropylamine

: 127223-95-4
(Z)-1,1,1-trifluoro-4-(isopropylamino)pent-3-en-2-one

Guidance literature:: diisopropylamine; With n-butyllithium; In tetrahydrofuran; hexane; at -78 - 0 ℃; for 0.166667h; Inert atmosphere;

With pivalaldehyde; In tetrahydrofuran; hexane; at 0 ℃; for 0.166667h; Inert atmosphere;

trifluoroacetic acid-methyl ester; In tetrahydrofuran; hexane; at 0 - 20 ℃; for 2.16667h; Inert atmosphere;
DOI:10.1016/j.tet.2012.04.105