12-[(4-Nitrophenyl)methyl]-1,4,7,10-tetraazacyclotridecane

Base Information

Chemical Name:12-[(4-Nitrophenyl)methyl]-1,4,7,10-tetraazacyclotridecane
CAS No.:128924-90-3
Molecular Formula:C₁₆H₂₇N₅O₂
Molecular Weight:321.423
Hs Code.:
DSSTox Substance ID:DTXSID10564704
Wikidata:Q82449505

Synonyms:128924-90-3;SCHEMBL6562910;DTXSID10564704;12-[(4-Nitrophenyl)methyl]-1,4,7,10-tetraazacyclotridecane

Suppliers and Price of 12-[(4-Nitrophenyl)methyl]-1,4,7,10-tetraazacyclotridecane

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 12-[(4-Nitrophenyl)methyl]-1,4,7,10-tetraazacyclotridecane

Chemical Property:

XLogP3:0.3
Hydrogen Bond Donor Count:4
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:2
Exact Mass:321.21647512
Heavy Atom Count:23
Complexity:315

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CNCCNCC(CNCCN1)CC2=CC=C(C=C2)[N+](=O)[O-]

Technology Process of 12-[(4-Nitrophenyl)methyl]-1,4,7,10-tetraazacyclotridecane

There total 2 articles about 12-[(4-Nitrophenyl)methyl]-1,4,7,10-tetraazacyclotridecane 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:

: 124090-10-4
dimethyl (4-nitrobenzyl)propanedioate

: 128924-90-3
6-(4-nitrobenzyl)-1,4,8,11-tetraazacyclotridecane

Guidance literature:: Multi-step reaction with 2 steps

1.1: ethanol

2.1: BH₃*THF / tetrahydrofuran

2.2: aq. HCl

With borane-THF; In tetrahydrofuran; ethanol;
DOI:10.1039/b207713b

Reference yield:

: 7598-70-1
diethyl 2-(4-nitrobenzyl)malonate

: 128924-90-3
6-(4-nitrobenzyl)-1,4,8,11-tetraazacyclotridecane

Guidance literature:: Multi-step reaction with 2 steps

1: 54 percent / methanol / 312 h / Heating

2: 1) BH₃*THF, 2) concd. HCl / 1) THF, reflux, 2) H₂O, reflux

With hydrogenchloride; borane-THF; In methanol;
DOI:10.1021/jo00059a062