5-Nitro-2-[(1-oxobutyl)amino]phenyl 1,1,1-trifluoromethanesulfonate

Base Information

Chemical Name:5-Nitro-2-[(1-oxobutyl)amino]phenyl 1,1,1-trifluoromethanesulfonate
CAS No.:500991-95-7
Molecular Formula:C11H11F3N2O6S
Molecular Weight:356.279
Hs Code.:
DSSTox Substance ID:DTXSID201161918
Nikkaji Number:J1.943.155J

Synonyms:DTXSID201161918;500991-95-7;5-Nitro-2-[(1-oxobutyl)amino]phenyl 1,1,1-trifluoromethanesulfonate

Suppliers and Price of 5-Nitro-2-[(1-oxobutyl)amino]phenyl 1,1,1-trifluoromethanesulfonate

Supply Marketing:

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

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Chemical Property of 5-Nitro-2-[(1-oxobutyl)amino]phenyl 1,1,1-trifluoromethanesulfonate

Chemical Property:

XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:9
Rotatable Bond Count:5
Exact Mass:356.02899173
Heavy Atom Count:23
Complexity:539

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCCC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])OS(=O)(=O)C(F)(F)F

Technology Process of 5-Nitro-2-[(1-oxobutyl)amino]phenyl 1,1,1-trifluoromethanesulfonate

There total 2 articles about 5-Nitro-2-[(1-oxobutyl)amino]phenyl 1,1,1-trifluoromethanesulfonate 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: 87.0%

: 358-23-6
trifluoromethylsulfonic anhydride

: 500991-88-8
N-(2'-hydroxy-4'-nitrophenyl)butyramide

: 500991-95-7
N-[4'-nitro-2'-(((trifluoromethane)sulfonyl)oxy)phenyl]butyramide

Guidance literature:: With sodium hydride; In acetonitrile; at -5 - 0 ℃; for 6h;
DOI:10.1016/j.tet.2004.09.034

Reference yield:

: 121-88-0
5-Nitro-2-aminophenol

: 500991-95-7
N-[4'-nitro-2'-(((trifluoromethane)sulfonyl)oxy)phenyl]butyramide

Guidance literature:: Multi-step reaction with 2 steps

1: 86 percent / pyridine / tetrahydrofuran / Heating

2: 87 percent / NaH / acetonitrile / 6 h / -5 - 0 °C

With pyridine; sodium hydride; In tetrahydrofuran; acetonitrile;
DOI:10.1016/j.tet.2004.09.034

Reference yield: 95.0%

: 627-19-0
1-Pentyne

: 500991-95-7
N-[4'-nitro-2'-(((trifluoromethane)sulfonyl)oxy)phenyl]butyramide

: 500992-00-7
N-[(4'-nitro-2'-(pent-1''-ynyl))phenyl]butyramide

Guidance literature:: With copper(l) iodide; tetra-(n-butyl)ammonium iodide; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In triethylamine; acetonitrile; at 20 ℃;
DOI:10.1016/S0040-4039(02)01851-8