1H-Pyrrole, 2-[3,5-bis(trifluoromethyl)phenyl]-

Base Information

Chemical Name:1H-Pyrrole, 2-[3,5-bis(trifluoromethyl)phenyl]-
CAS No.:795274-69-0
Molecular Formula:C12H7F6N
Molecular Weight:279.185
Hs Code.:
DSSTox Substance ID:DTXSID40478340
Nikkaji Number:J2.113.599B
Wikidata:Q82311670

Synonyms:795274-69-0;2-[3,5-Bis(trifluoromethyl)phenyl]pyrrole;1H-Pyrrole, 2-[3,5-bis(trifluoromethyl)phenyl]-;2-[3,5-Bis(trifluoromethyl)phenyl]-1H-pyrrole;2-(3,5-bis(trifluoromethyl)phenyl)-1H-pyrrole;2-(3',5'-bis(trifluoromethyl)phenyl)-1H-pyrrole;SCHEMBL14677729;DTXSID40478340;AC6841;MFCD31567169;AKOS037630189;SY129895;A917841

Suppliers and Price of 1H-Pyrrole, 2-[3,5-bis(trifluoromethyl)phenyl]-

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 3 raw suppliers

Chemical Property of 1H-Pyrrole, 2-[3,5-bis(trifluoromethyl)phenyl]-

Chemical Property:

XLogP3:3.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:1
Exact Mass:279.04826820
Heavy Atom Count:19
Complexity:288

Purity/Quality:: 97% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CNC(=C1)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F

Technology Process of 1H-Pyrrole, 2-[3,5-bis(trifluoromethyl)phenyl]-

There total 1 articles about 1H-Pyrrole, 2-[3,5-bis(trifluoromethyl)phenyl]- 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: 79.0%

: 109-97-7,30604-81-0
pyrrole

: 328-70-1
3,6-bis(trifluoromethyl)bromobenzene

: 795274-69-0
2-(3',5'-bis(trifluoromethyl)phenyl)-1H-pyrrole

Guidance literature:: With pyrene; tris(2,2′-bipyridyl)dichlororuthenium(II) hexahydrate; N-ethyl-N,N-diisopropylamine; In dimethyl sulfoxide; at 25 ℃; for 5h; Inert atmosphere; Irradiation;
DOI:10.1002/anie.201703004

Reference yield: 65.0%

: 68-12-2,33513-42-7
N,N-dimethyl-formamide

: 795274-69-0
2-(3',5'-bis(trifluoromethyl)phenyl)-1H-pyrrole

: 5-[(3,5-bis(trifluoromethyl)phenyl)-2-formyl]-1H-pyrrole

Guidance literature:: N,N-dimethyl-formamide; 2-(3',5'-bis(trifluoromethyl)phenyl)-1H-pyrrole; With trichlorophosphate; In toluene; at 20 ℃; Cooling with ice; Inert atmosphere;

With water; sodium hydrogencarbonate; sodium hydroxide; In toluene; at 0 ℃; for 3h; pH=7 - 12; Inert atmosphere;
DOI:10.1039/c5ce00927h

Reference yield: 38.0%

: tetrakis(dimethylamido)titanium(IV)

: 795274-69-0
2-(3',5'-bis(trifluoromethyl)phenyl)-1H-pyrrole

: 918897-41-3
Ti(NMe₂)2(2-[3,5-bis(trifluoromethyl)phenyl]pyrrolyl)2

Guidance literature:: In diethyl ether; (N2); addn. of a soln. of ligand in Et2O to a soln. of titanium compd. in Et2O at room temp., stirring for 6 h; evapn. in vac., crystn. (pentane); elem. anal.;
DOI:10.1021/om0607088