4-(4-Boc-piperazin-1-yl-methyl)-2-trifluoromethylaniline

Base Information

Chemical Name:4-(4-Boc-piperazin-1-yl-methyl)-2-trifluoromethylaniline
CAS No.:859027-30-8
Molecular Formula:C17H24 F3 N3 O2
Molecular Weight:359.392
Hs Code.:
DSSTox Substance ID:DTXSID00703882
Wikidata:Q82636147
Mol file:859027-30-8.mol

Synonyms:859027-30-8;4-(4-Boc-piperazin-1-yl-methyl)-2-trifluoromethylaniline;1-Piperazinecarboxylicacid, 4-[[4-amino-2-(trifluoromethyl)phenyl]methyl]-, 1,1-dimethylethyl ester;4-(4-boc-piperazin-1-ylmethyl)-2-trifluoromethylaniline;tert-butyl 4-[[4-amino-3-(trifluoromethyl)phenyl]methyl]piperazine-1-carboxylate;TERT-BUTYL 4-{[4-AMINO-3-(TRIFLUOROMETHYL)PHENYL]METHYL}PIPERAZINE-1-CARBOXYLATE;DTXSID00703882;JFTFRZVIGKMXCG-UHFFFAOYSA-N;AKOS027383123;FT-0604267;1-Piperazinecarboxylicacid,4-[[4-amino-2-(trifluoromethyl)phenyl]methyl]-,1,1-dimethylethyl ester

Suppliers and Price of 4-(4-Boc-piperazin-1-yl-methyl)-2-trifluoromethylaniline

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 5 raw suppliers

Chemical Property of 4-(4-Boc-piperazin-1-yl-methyl)-2-trifluoromethylaniline

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Refractive Index:1.525
Boiling Point:412.422°C at 760 mmHg
PKA:5.99±0.10(Predicted)
Flash Point:203.226°C
PSA：58.80000
Density:1.24g/cm³
LogP:3.79730
XLogP3:2.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:4
Exact Mass:359.18206150
Heavy Atom Count:25
Complexity:457

Purity/Quality:: 97% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)OC(=O)N1CCN(CC1)CC2=CC(=C(C=C2)N)C(F)(F)F

Technology Process of 4-(4-Boc-piperazin-1-yl-methyl)-2-trifluoromethylaniline

There total 6 articles about 4-(4-Boc-piperazin-1-yl-methyl)-2-trifluoromethylaniline 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: 97.3%

: 859027-32-0
4-(4-nitro-2-trifluoromethyl-benzyl)-piperazine-1-carboxylic acid tert-butyl ester

: 859027-30-8
4-(4-amino-2-trifluoromethyl-benzyl)-piperazine-1-carboxylic acid tert-butyl ester

Guidance literature:: With iron; ammonium chloride; In ethanol; water; for 1h; Reflux;

Reference yield:

: 89976-12-5
1-methyl-4-nitro-2-(trifluoromethyl) benzene

: 859027-30-8
4-(4-amino-2-trifluoromethyl-benzyl)-piperazine-1-carboxylic acid tert-butyl ester

Guidance literature:: Multi-step reaction with 3 steps

1: N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile) / tetrachloromethane / 24 h / Reflux; Inert atmosphere

2: triethylamine / 3 h / 20 °C

3: iron; ammonium chloride / water; ethanol / 1 h / Reflux

With N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile); iron; ammonium chloride; triethylamine; In tetrachloromethane; ethanol; water;

Reference yield:

: 694499-22-4
1-(bromomethyl)-4-nitro-2-(trifluoromethyl) benzene

: 859027-30-8
4-(4-amino-2-trifluoromethyl-benzyl)-piperazine-1-carboxylic acid tert-butyl ester

Guidance literature:: Multi-step reaction with 2 steps

1: triethylamine / 3 h / 20 °C

2: iron; ammonium chloride / water; ethanol / 1 h / Reflux

With iron; ammonium chloride; triethylamine; In ethanol; water;