1-Methyl-4-(3,3,3-trifluoroprop-1-yn-1-yl)benzene

Base Information

Chemical Name:1-Methyl-4-(3,3,3-trifluoroprop-1-yn-1-yl)benzene
CAS No.:82203-82-5
Molecular Formula:C10H7F3
Molecular Weight:184.161
Hs Code.:
DSSTox Substance ID:DTXSID10512583
Nikkaji Number:J2.938.408H
Wikidata:Q82371906

Synonyms:82203-82-5;1-Methyl-4-(3,3,3-trifluoroprop-1-yn-1-yl)benzene;1-METHYL-4-(TRIFLUOROPROP-1-YN-1-YL)BENZENE;DTXSID10512583;CZBHQUJBQYAYBU-UHFFFAOYSA-N;1-Methyl-4-trifluoroprop-1-ynyl-benzene;EN300-743736;1-methyl-4-(3,3,3-trifluoro-1-propynyl)benzene;1-methyl-4-(3,3,3-trifluoro-prop-1-ynyl)-benzene

Suppliers and Price of 1-Methyl-4-(3,3,3-trifluoroprop-1-yn-1-yl)benzene

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
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price

Total 1 raw suppliers

Chemical Property of 1-Methyl-4-(3,3,3-trifluoroprop-1-yn-1-yl)benzene

Chemical Property:

XLogP3:3.6
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:184.04998471
Heavy Atom Count:13
Complexity:220

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC=C(C=C1)C#CC(F)(F)F

Technology Process of 1-Methyl-4-(3,3,3-trifluoroprop-1-yn-1-yl)benzene

There total 13 articles about 1-Methyl-4-(3,3,3-trifluoroprop-1-yn-1-yl)benzene 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%

: 1514-82-5
2-bromo-3,3,3-trifluoropropene

: 624-31-7
4-tolyl iodide

: 82203-82-5
1-(p-methylphenyl)-3,3,3-trifluoropropyne

Guidance literature:: 2-bromo-3,3,3-trifluoropropene; With dichloro(N,N,N’,N‘-tetramethylethylenediamine)zinc; lithium diisopropyl amide; In tetrahydrofuran; hexane; at -78 - 20 ℃; for 1h;

4-tolyl iodide; With tetrakis(triphenylphosphine) palladium⁽⁰⁾; In tetrahydrofuran; hexane; for 6h; Heating;
DOI:10.1016/S0040-4020(03)01199-2

Reference yield: 91.0%

: 887144-97-0
Togni's reagent

: 766-97-2
4-n-methylphenylacetylene

: 82203-82-5
1-(p-methylphenyl)-3,3,3-trifluoropropyne

Guidance literature:: With copper(l) iodide; 1,10-Phenanthroline; potassium hydrogencarbonate; In dichloromethane; at 20 ℃; for 18h; Inert atmosphere;
DOI:10.1016/j.tet.2011.12.085

Reference yield: 79.0%

(p-tolylethynyl)copper: 31638-66-1
(p-tolylethynyl)copper

: 81290-20-2
(trifluoromethyl)trimethylsilane

: 82203-82-5
1-(p-methylphenyl)-3,3,3-trifluoropropyne

Guidance literature:: With N,N,N,N,-tetramethylethylenediamine; In N,N-dimethyl-formamide; Petroleum ether; at 20 ℃; for 24h; Inert atmosphere;
DOI:10.1002/adsc.201400057