1-(2,2,3,3,4,4,4-Heptafluorobutoxy)-4-nitrobenzene

Base Information

Chemical Name:1-(2,2,3,3,4,4,4-Heptafluorobutoxy)-4-nitrobenzene
CAS No.:109230-68-4
Molecular Formula:C₁₀H₆F₇NO₃
Molecular Weight:321.151
Hs Code.:
DSSTox Substance ID:DTXSID20895970
Nikkaji Number:J777.564D
Wikidata:Q82872144

Synonyms:1-(2,2,3,3,4,4,4-Heptafluorobutoxy)-4-nitrobenzene;109230-68-4;4-(1H,1H-Heptafluorobutoxy)-1-nitrobenzene;SCHEMBL3040542;DTXSID20895970;NS00109718;4-(2',2',3',3',4',4',4'-heptafluorobutanoxy)nitrobenzene

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Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 1-(2,2,3,3,4,4,4-Heptafluorobutoxy)-4-nitrobenzene

Chemical Property:

XLogP3:4.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:4
Exact Mass:321.02359019
Heavy Atom Count:21
Complexity:372

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1=CC(=CC=C1[N+](=O)[O-])OCC(C(C(F)(F)F)(F)F)(F)F

Technology Process of 1-(2,2,3,3,4,4,4-Heptafluorobutoxy)-4-nitrobenzene

There total 4 articles about 1-(2,2,3,3,4,4,4-Heptafluorobutoxy)-4-nitrobenzene 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: 85.0%

: 100-02-7,78813-13-5,89830-32-0
4-nitro-phenol

: 6401-01-0
2,2,3,3,4,4,4-heptafluorobutyl trifluoromethanesulfonate

: 109230-68-4
4-nitro-1-(2,2,3,3,4,4,4-heptafluorobutoxy)benzene

Guidance literature:: With sodium hydride; In N,N,N,N,N,N-hexamethylphosphoric triamide; 1.) r.t., 2.) 110 deg C, 8 h;
DOI:10.1016/S0022-1139(96)03490-2

Reference yield: 58.0%

: 375-01-9
2,2,3,3,4,4,4-heptafluorobutanol

: 586-78-7
para-nitrophenyl bromide

: 109230-68-4
4-nitro-1-(2,2,3,3,4,4,4-heptafluorobutoxy)benzene

Guidance literature:: With tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; dicyclohexyl-(2′,4′,6′-triisopropyl-3,6-dimethoxy-[1,1′-biphenyl]-2-yl)phosphine; caesium carbonate; In toluene; at 85 ℃; for 17h; Inert atmosphere;
DOI:10.1002/chem.201404121

Reference yield: 29.0%

: 375-01-9
2,2,3,3,4,4,4-heptafluorobutanol

: 100-00-5
4-chlorobenzonitrile

: 109230-68-4
4-nitro-1-(2,2,3,3,4,4,4-heptafluorobutoxy)benzene

Guidance literature:: With potassium tert-butylate; In tetrahydrofuran; N,N-dimethyl-formamide; at 25 ℃; for 24h; Inert atmosphere;
DOI:10.1021/acs.joc.0c01250