Hibernon

Base Information

Chemical Name:Hibernon
CAS No.:531-09-9
Molecular Formula:C16H20 Br N3
Molecular Weight:334.259
Hs Code.:2933399090
DSSTox Substance ID:DTXSID20201178
Nikkaji Number:J8.646K
Wikidata:Q83074363
Mol file:531-09-9.mol

Synonyms:Hibernon;4-Bromtripelennamin;531-09-9;N'-[(4-bromophenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine;BRN 0257088;2-((p-Bromobenzyl)(2-(dimethylamino)ethyl)amino)pyridine;N-(4-Brombenzyl)-N',N'-dimethyl-N-(2-pyridyl)ethylendiamin;Pyridine, 2-((p-bromobenzyl)(2-(dimethylamino)ethyl)amino)-;N-(p-Bromobenzyl)-N',N'-dimethyl-N-(2-pyridyl)ethylenediamine;Ethylenediamine, N-(p-bromobenzyl)-N',N'-dimethyl-N-(2-pyridyl)-;1,2-Ethanediamine, N-((4-bromophenyl)methyl-N',N'-dimethyl-N-2-pyridinyl-;SCHEMBL8386885;DTXSID20201178;LS-130303

Suppliers and Price of Hibernon

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 Hibernon

Chemical Property:

Boiling Point:435°Cat760mmHg
PKA:9.00±0.28(Predicted)
Flash Point:216.9°C
PSA：32.26000
Density:1.314g/cm³
LogP:2.22510
XLogP3:4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:6
Exact Mass:333.08406
Heavy Atom Count:20
Complexity:264

Purity/Quality:: 98%min ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CN(C)CCN(CC1=CC=C(C=C1)Br)C2=CC=CC=N2

Technology Process of Hibernon

There total 3 articles about Hibernon 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: 64.0%

: 23826-72-4
N,N-dimethyl-N'-(pyridine-2-yl)ethane-1,2-diamine

: 531-09-9
N-[(4-bromophenyl)methyl]-N-[2-(dimethylamino)ethyl]pyridin-2-amine

Guidance literature:: N,N-dimethyl-N'-(pyridine-2-yl)ethane-1,2-diamine; With lithium amide; In acetonitrile; for 0.0833333h; Inert atmosphere;

4-bromobenzyl halide; In acetonitrile; for 8h; Inert atmosphere; Reflux;
DOI:10.1016/j.ejmech.2014.04.041

Reference yield:

: 23826-72-4
N,N-dimethyl-N'-(pyridine-2-yl)ethane-1,2-diamine

: 531-09-9
N-[(4-bromophenyl)methyl]-N-[2-(dimethylamino)ethyl]pyridin-2-amine

Guidance literature:: With potassium amide; toluene; anschliessend mit 4-Brom-benzylchlorid;
DOI:10.1021/jo01154a006

Reference yield:

: 109-09-1
2-chloropyridine

: 531-09-9
N-[(4-bromophenyl)methyl]-N-[2-(dimethylamino)ethyl]pyridin-2-amine

Guidance literature:: Multi-step reaction with 2 steps

1.1: 12 h / 140 °C / Inert atmosphere; Sealed tube

2.1: lithium amide / acetonitrile / 0.08 h / Inert atmosphere

2.2: 8 h / Inert atmosphere; Reflux

With lithium amide; In acetonitrile;
DOI:10.1016/j.ejmech.2014.04.041