1-(2-Fluoro-4-nitrophenyl)azepane

Base Information

Chemical Name:1-(2-Fluoro-4-nitrophenyl)azepane
CAS No.:250371-80-3
Molecular Formula:C12H15FN2O2
Molecular Weight:238.262
Hs Code.:
DSSTox Substance ID:DTXSID101248868
Mol file:250371-80-3.mol

Synonyms:1-(2-fluoro-4-nitrophenyl)azepane;250371-80-3;Oprea1_840617;SCHEMBL85672;LJVYPBVHNCEVFI-UHFFFAOYSA-N;DTXSID101248868;MFCD02633462;AKOS003286049;CCG-301336;CS-0336219;1-(2-Fluoro-4-nitrophenyl)hexahydro-1H-azepine;SR-01000221654;SR-01000221654-1

Suppliers and Price of 1-(2-Fluoro-4-nitrophenyl)azepane

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 2 raw suppliers

Chemical Property of 1-(2-Fluoro-4-nitrophenyl)azepane

Chemical Property:

XLogP3:3.2
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:238.11175589
Heavy Atom Count:17
Complexity:262

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1CCCN(CC1)C2=C(C=C(C=C2)[N+](=O)[O-])F

Technology Process of 1-(2-Fluoro-4-nitrophenyl)azepane

There total 1 articles about 1-(2-Fluoro-4-nitrophenyl)azepane 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%

: 111-49-9
hexamethylene imine

: 369-34-6
3,4-difluoronitrobenzene

: 250371-80-3
1-(2-fluoro-4-nitrophenyl)azepane

Guidance literature:: hexamethylene imine; With N-ethyl-N,N-diisopropylamine; In acetonitrile; at 20 ℃; for 0.5h; Inert atmosphere;

3,4-difluoronitrobenzene; In acetonitrile; Inert atmosphere; Reflux;
DOI:10.1002/cmdc.202000899

Reference yield:

: 250371-80-3
1-(2-fluoro-4-nitrophenyl)azepane

: 250372-26-0
(R)-3-(4-Azepan-1-yl-3-fluoro-phenyl)-5-hydroxymethyl-oxazolidin-2-one

Guidance literature:: Multi-step reaction with 2 steps

1: H₂ / PtO₂ / methanol / 3 h / 20 °C / 1471.02 Torr

With hydrogen; platinum(IV) oxide; In methanol;
DOI:10.1248/cpb.49.353

Reference yield:

: 250371-80-3
1-(2-fluoro-4-nitrophenyl)azepane

: 250373-07-0
(R)-3-(4-Azepan-1-yl-3-fluoro-phenyl)-5-azidomethyl-oxazolidin-2-one

Guidance literature:: Multi-step reaction with 4 steps

1: H₂ / PtO₂ / methanol / 3 h / 20 °C / 1471.02 Torr

2: Et₃N / tetrahydrofuran / 2 h / 20 °C

3: sodium azide / dimethylformamide / 6 h / 65 °C

With sodium azide; hydrogen; triethylamine; platinum(IV) oxide; In tetrahydrofuran; methanol; N,N-dimethyl-formamide;
DOI:10.1248/cpb.49.353