2,2,2-trifluoro-1-(1-methyl-1H-pyrrol-3-yl)ethan-1-one

Base Information

Chemical Name:2,2,2-trifluoro-1-(1-methyl-1H-pyrrol-3-yl)ethan-1-one
CAS No.:144219-81-8
Molecular Formula:C₇H₆F₃NO
Molecular Weight:177.126
Hs Code.:
European Community (EC) Number:960-254-1
Mol file:144219-81-8.mol

Synonyms:144219-81-8;2,2,2-trifluoro-1-(1-methyl-1H-pyrrol-3-yl)ethan-1-one;Ethanone, 2,2,2-trifluoro-1-(1-methyl-1H-pyrrol-3-yl)- (9CI);2,2,2-Trifluoro-1-(1-methylpyrrol-3-yl)ethanone;LLOAKDAUOWGUJY-UHFFFAOYSA-N;AKOS017515135;CS-0222790;EN300-112676;Z1255439931

Suppliers and Price of 2,2,2-trifluoro-1-(1-methyl-1H-pyrrol-3-yl)ethan-1-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

TRC
2,2,2-trifluoro-1-(1-methyl-1H-pyrrol-3-yl)ethan-1-one
10mg
$ 65.00

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

AccelPharmtech
2,2,2-trifluoro-1-(1-methyl-1H-pyrrol-3-yl)-Ethanone 97.00%
5G
$ 2750.00

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

Total 3 raw suppliers

Chemical Property of 2,2,2-trifluoro-1-(1-methyl-1H-pyrrol-3-yl)ethan-1-one

Chemical Property:

Boiling Point:183.0±35.0 °C(Predicted)
PKA:-7.84±0.70(Predicted)
PSA：22.00000
Density:1.28±0.1 g/cm3(Predicted)
LogP:1.77010
XLogP3:1.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:177.04014830
Heavy Atom Count:12
Complexity:190

Purity/Quality:

99%+ ^*data from raw suppliers

2,2,2-trifluoro-1-(1-methyl-1H-pyrrol-3-yl)ethan-1-one ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN1C=CC(=C1)C(=O)C(F)(F)F

Technology Process of 2,2,2-trifluoro-1-(1-methyl-1H-pyrrol-3-yl)ethan-1-one

There total 3 articles about 2,2,2-trifluoro-1-(1-methyl-1H-pyrrol-3-yl)ethan-1-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: 95.0%

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

: 74-88-4
methyl iodide

: 144219-81-8
3-trifluoroacetyl-1-methylpyrrole

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

Reference yield: 36.0%

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

: 74-89-5
methylamine

: 144219-81-8
3-trifluoroacetyl-1-methylpyrrole

Guidance literature:: 4-trifluoroacetyl-2,3-dihydrofuran; methylamine; 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

: 144219-81-8
3-trifluoroacetyl-1-methylpyrrole

Guidance literature:: Multi-step reaction with 2 steps

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

2: 95 percent / KOH / dimethylsulfoxide / 20 h / Ambient temperature

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