1-(1-ethyl-1H-pyrrol-3-yl)-2,2,2-trifluoroethanone

Base Information

Chemical Name:1-(1-ethyl-1H-pyrrol-3-yl)-2,2,2-trifluoroethanone
CAS No.:144219-82-9
Molecular Formula:C₈H₈F₃NO
Molecular Weight:191.153
Hs Code.:
DSSTox Substance ID:DTXSID80566230
Wikidata:Q82451753
Mol file:144219-82-9.mol

Synonyms:144219-82-9;1-(1-ethyl-1H-pyrrol-3-yl)-2,2,2-trifluoroethanone;1-(1-ETHYLPYRROL-3-YL)-2,2,2-TRIFLUOROETHANONE;Ethanone, 1-(1-ethyl-1H-pyrrol-3-yl)-2,2,2-trifluoro- (9CI);DTXSID80566230;AKOS017517878;1-(1-Ethyl-1H-pyrrol-3-yl)-2,2,2-trifluoroethan-1-one;Ethanone, 1-(1-ethyl-1H-pyrrol-3-yl)-2,2,2-trifluoro-

Suppliers and Price of 1-(1-ethyl-1H-pyrrol-3-yl)-2,2,2-trifluoroethanone

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

AccelPharmtech
1-(1-ethyl-1H-pyrrol-3-yl)-2,2,2-trifluoro-Ethanone 97.00%
25G
$ 5120.00

AccelPharmtech
1-(1-ethyl-1H-pyrrol-3-yl)-2,2,2-trifluoro-Ethanone 97.00%
1G
$ 2370.00

Total 2 raw suppliers

Chemical Property of 1-(1-ethyl-1H-pyrrol-3-yl)-2,2,2-trifluoroethanone

Chemical Property:

Boiling Point:202.0±35.0 °C(Predicted)
PKA:-7.84±0.70(Predicted)
PSA：22.00000
Density:1.24±0.1 g/cm3(Predicted)
LogP:2.25300
XLogP3:1.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:191.05579836
Heavy Atom Count:13
Complexity:202

Purity/Quality:

99%+ ^*data from raw suppliers

1-(1-ethyl-1H-pyrrol-3-yl)-2,2,2-trifluoro-Ethanone 97.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCN1C=CC(=C1)C(=O)C(F)(F)F

Technology Process of 1-(1-ethyl-1H-pyrrol-3-yl)-2,2,2-trifluoroethanone

There total 3 articles about 1-(1-ethyl-1H-pyrrol-3-yl)-2,2,2-trifluoroethanone 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: 92.0%

: 130408-89-8
2,2,2-trifluoro-1-(1H-pyrrol-3-yl)ethan-1-one

: 75-03-6
ethyl iodide

: 144219-82-9
1-ethyl-3-trifluoroacetylpyrrole

Guidance literature:: With potassium hydroxide; In dimethyl sulfoxide; for 20h; Ambient temperature;

Reference yield: 41.0%

: 109317-75-1
4-trifluoroacetyl-2,3-dihydrofuran

: 75-04-7,85404-22-4
ethylamine

: 144219-82-9
1-ethyl-3-trifluoroacetylpyrrole

Guidance literature:: 4-trifluoroacetyl-2,3-dihydrofuran; ethylamine; In dichloromethane; at 20 ℃; for 0.5h;

With pyridinium chlorochromate; In dichloromethane; for 3h; chemoselective reaction; Reflux;
DOI:10.1055/s-0028-1087821

Reference yield:

: 144219-77-2
1,1,1-trifluoro-4-(2,2-dimethoxyethylamino)-3-buten-2-one

: 144219-82-9
1-ethyl-3-trifluoroacetylpyrrole

Guidance literature:: Multi-step reaction with 2 steps

1: 87 percent / trifluoroacetic acid, water / 4 h / Ambient temperature

2: 92 percent / KOH / dimethylsulfoxide / 20 h / Ambient temperature

With potassium hydroxide; water; trifluoroacetic acid; In dimethyl sulfoxide;