Benzene, 1-[3-(2-propenyloxy)-1-propynyl]-4-(trifluoromethyl)-

Base Information

Chemical Name:Benzene, 1-[3-(2-propenyloxy)-1-propynyl]-4-(trifluoromethyl)-
CAS No.:873876-62-1
Molecular Formula:C13H11F3O
Molecular Weight:240.225
Hs Code.:
DSSTox Substance ID:DTXSID60464780
Nikkaji Number:J2.460.883B
Wikidata:Q82290267

Synonyms:Benzene, 1-[3-(2-propenyloxy)-1-propynyl]-4-(trifluoromethyl)-;873876-62-1;SCHEMBL18980910;DTXSID60464780

Suppliers and Price of Benzene, 1-[3-(2-propenyloxy)-1-propynyl]-4-(trifluoromethyl)-

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 0 raw suppliers

Chemical Property of Benzene, 1-[3-(2-propenyloxy)-1-propynyl]-4-(trifluoromethyl)-

Chemical Property:

XLogP3:3.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:240.07619946
Heavy Atom Count:17
Complexity:300

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

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

Technology Process of Benzene, 1-[3-(2-propenyloxy)-1-propynyl]-4-(trifluoromethyl)-

There total 2 articles about Benzene, 1-[3-(2-propenyloxy)-1-propynyl]-4-(trifluoromethyl)- 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: 91.0%

: 106-95-6
allyl bromide

: 173546-21-9
3-(4-trifluoromethylphenyl)prop-2-yn-1-ol

: 873876-62-1
1-(3-(allyloxy)prop-1-yn-1-yl)-4-(trifluoromethyl)benzene

Guidance literature:: 3-(4-trifluoromethylphenyl)prop-2-yn-1-ol; With sodium hydride; In tetrahydrofuran; at 0 - 20 ℃;

allyl bromide; In tetrahydrofuran; at 0 - 20 ℃;
DOI:10.1016/j.tetasy.2006.03.036

Reference yield:

: 455-13-0
4-Iodobenzotrifluoride

: 873876-62-1
1-(3-(allyloxy)prop-1-yn-1-yl)-4-(trifluoromethyl)benzene

Guidance literature:: Multi-step reaction with 2 steps

1.1: 75 percent / Pd(PPh₃)2Cl₂; CuI; piperidine / toluene / 3 h / 30 - 35 °C

2.1: NaH / tetrahydrofuran / 0 - 20 °C

2.2: 91 percent / tetrahydrofuran / 0 - 20 °C

With piperidine; bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; sodium hydride; In tetrahydrofuran; toluene; 1.1: Sonogashira reaction;
DOI:10.1016/j.tetasy.2006.03.036

Reference yield: 95.0%

: 873876-62-1
1-(3-(allyloxy)prop-1-yn-1-yl)-4-(trifluoromethyl)benzene

: 201230-82-2
carbon monoxide

: (3aS)-6-[4-(trifluoromethyl)phenyl]-3a,4-dihydro-1H-cyclopenta[c]furan-5(3H)-one

: (3aR)-6-[4-(trifluoromethyl)phenyl]-3a,4-dihydro-1H-cyclopenta[c]furan-5(3H)-one

Guidance literature:: With di(rhodium)tetracarbonyl dichloride; (S)-3,5-di-tert-butyl-4-methoxyphenyl-(6,6’-dimethoxybiphenyl-2,2’-diyl)-bis(diphenylphosphine); silver trifluoromethanesulfonate; In tetrahydrofuran; at 70 ℃; for 12h; optical yield given as %ee; enantioselective reaction; Inert atmosphere;
DOI:10.1002/adsc.201000221