1-(2-Fluoro-4-nitrophenyl)-3,5-dimethylpiperazine

Base Information

Chemical Name:1-(2-Fluoro-4-nitrophenyl)-3,5-dimethylpiperazine
CAS No.:866538-93-4
Molecular Formula:C12H16FN3O2
Molecular Weight:253.276
Hs Code.:
DSSTox Substance ID:DTXSID50694690
Mol file:866538-93-4.mol

Synonyms:SCHEMBL1046567;DTXSID50694690;AKOS011878336;1-(2-fluoro-4-nitrophenyl)-3,5-dimethylpiperazine

Suppliers and Price of 1-(2-Fluoro-4-nitrophenyl)-3,5-dimethylpiperazine

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

American Custom Chemicals Corporation
(3R,5S)-1-(2-FLUORO-4-NITROPHENYL)-3,5-DIMETHYLPIPERAZINE 95.00%
5MG
$ 504.03

Total 8 raw suppliers

Chemical Property of 1-(2-Fluoro-4-nitrophenyl)-3,5-dimethylpiperazine

Chemical Property:

Boiling Point:394.9±42.0 °C(Predicted)
PKA:8.63±0.60(Predicted)
PSA：61.09000
Density:1.184
LogP:2.83750
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:253.12265492
Heavy Atom Count:18
Complexity:300

Purity/Quality:

98%Min ^*data from raw suppliers

(3R,5S)-1-(2-FLUORO-4-NITROPHENYL)-3,5-DIMETHYLPIPERAZINE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1CN(CC(N1)C)C2=C(C=C(C=C2)[N+](=O)[O-])F

Technology Process of 1-(2-Fluoro-4-nitrophenyl)-3,5-dimethylpiperazine

There total 2 articles about 1-(2-Fluoro-4-nitrophenyl)-3,5-dimethylpiperazine 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: 100.0%

: 866538-93-4
(3R,5S)-1-(2-fluoro-4-nitrophenyl)-3,5-dimethylpiperazine

Guidance literature:

Reference yield: 89.0%

: 369-34-6
3,4-difluoronitrobenzene

: 21655-48-1,1013625-96-1
cis-2,6-dimethylpiperazine

: 866538-93-4
(3R,5S)-1-(2-fluoro-4-nitrophenyl)-3,5-dimethylpiperazine

Guidance literature:: With N-ethyl-N,N-diisopropylamine; In acetonitrile; at 80 ℃; for 2h; Inert atmosphere;

Reference yield:

: 866538-93-4
(3R,5S)-1-(2-fluoro-4-nitrophenyl)-3,5-dimethylpiperazine

: 866539-00-6
(2S,6R)-4-(4-Amino-2-fluoro-phenyl)-2,6-dimethyl-piperazine-1-carboxylic acid tert-butyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: TEA / CH₂Cl₂ / 0 - 20 °C

2: H₂ / Pd/C / methanol / 20 °C / 2844.31 Torr

With TEA; hydrogen; palladium on activated charcoal; In methanol; dichloromethane;
DOI:10.1016/j.bmcl.2005.06.063