5-(Trifluoromethyl)pyrimidine

Base Information

Chemical Name:5-(Trifluoromethyl)pyrimidine
CAS No.:176214-12-3
Molecular Formula:C₅H₃F₃N₂
Molecular Weight:148.087
Hs Code.:2933599590
European Community (EC) Number:808-901-8
DSSTox Substance ID:DTXSID10570845
Nikkaji Number:J718.779C
Wikidata:Q82458404
Mol file:176214-12-3.mol

Synonyms:5-(Trifluoromethyl)pyrimidine;176214-12-3;5-Trifluoromethylpyrimidine;Pyrimidine, 5-(trifluoromethyl)- (9CI);Pyrimidine, 5-(trifluoromethyl)-;MFCD11100527;5-trifluoromethyl-pyrimidine;2,4,4,5-Tetrachlorobiphenyl;SCHEMBL1038150;DTXSID10570845;AKOS005255456;SB56236;MS-20086;5-(Trifluoromethyl)pyrimidine, AldrichCPR;CS-0448327;A881532

Suppliers and Price of 5-(Trifluoromethyl)pyrimidine

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
5-(Trifluoromethyl)pyrimidine
500mg
$ 310.00

SynQuest Laboratories
5-Trifluoromethylpyrimidine
5 g
$ 1200.00

SynQuest Laboratories
5-Trifluoromethylpyrimidine
1 g
$ 333.00

Sigma-Aldrich
5-(Trifluoromethyl)pyrimidine AldrichCPR
1g
$ 162.00

Matrix Scientific
5-(Trifluoromethyl)pyrimidine 95%
500mg
$ 156.00

Matrix Scientific
5-(Trifluoromethyl)pyrimidine 95%
1g
$ 240.00

Crysdot
5-(Trifluoromethyl)pyrimidine 95+%
5g
$ 580.00

Chemenu
5-(Trifluoromethyl)pyrimidine 95%
5g
$ 548.00

Apolloscientific
5-(Trifluoromethyl)pyrimidine 95%
1g
$ 208.00

Apolloscientific
5-(Trifluoromethyl)pyrimidine 95%
5g
$ 750.00

Total 10 raw suppliers

Chemical Property of 5-(Trifluoromethyl)pyrimidine

Chemical Property:

Boiling Point:137.9±35.0 °C(Predicted)
PKA:1.00±0.10(Predicted)
PSA：25.78000
Density:1.353±0.06 g/cm3(Predicted)
LogP:1.49540
XLogP3:0.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:0
Exact Mass:148.02483259
Heavy Atom Count:10
Complexity:106

Purity/Quality:

97% ^*data from raw suppliers

5-(Trifluoromethyl)pyrimidine ^*data from reagent suppliers

Safty Information:

Pictogram(s): T,Xi
Hazard Codes:T,Xi
Statements: 25-36
Safety Statements: 26-45

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=C(C=NC=N1)C(F)(F)F

Technology Process of 5-(Trifluoromethyl)pyrimidine

There total 5 articles about 5-(Trifluoromethyl)pyrimidine 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: 75.0%

: 4595-59-9
5-bromopyrimidine

: 1,10-phenanthroline trifluoroacetic acid cuprous (I)

: 69034-12-4,176214-12-3
5-(trifluoromethyl)pyrimidine

Guidance literature:: With sodium fluoride; In N,N-dimethyl-formamide; at 140 ℃; Sealed tube; Inert atmosphere;
DOI:10.1002/chem.201504306

Reference yield: 40.0%

: 6313-33-3
formamidine hydrochloride

: 176214-18-9
N-[3-(dimethylamino)-2-(trifluoromethyl)-2-propenylidene]-N-dimethylammonium chloride

: 69034-12-4,176214-12-3
5-(trifluoromethyl)pyrimidine

Guidance literature:: With sodium methylate; In methanol; acetonitrile; for 3h; Ambient temperature;
DOI:10.1016/0040-4039(96)00129-3

Reference yield:

: 4595-59-9
5-bromopyrimidine

: 1895006-01-5
dimesityl(trifluoromethyl)sulfonium trifluoromethanesulfonate

: 69034-12-4,176214-12-3
5-(trifluoromethyl)pyrimidine

Guidance literature:: With dilithium tetrabromocuprate; 1,1,1,3,3,3-hexamethyl-2-(trimethylsilyl)-2-trisilanol; Ir(2-(2,4-difluorophenyl)-5-fluoropyridine)₂(4,4'-di(trifluoromethyl)-2,2'-bipyridyl)PF₆; sodium carbonate; In acetone; at 35 ℃; Irradiation;
DOI:10.1126/science.aat4133