hexahydro-1H,4H,7H-3a,6a,9a-triazaphenalene

Base Information

Chemical Name:hexahydro-1H,4H,7H-3a,6a,9a-triazaphenalene
CAS No.:67705-41-3
Molecular Formula:C10H19N3
Molecular Weight:181.281
Hs Code.:
European Community (EC) Number:889-354-2
Nikkaji Number:J623.892K

Synonyms:67705-41-3;hexahydro-1H,4H,7H-3a,6a,9a-triazaphenalene;hexahydro-1H,3a1H,4H,7H-3a,6a,9a-triazaphenalene;SCHEMBL12518650;WUWQBKOLOTXDFK-UHFFFAOYSA-N;MFCD28978346;1,5,9-triazatricyclo[7.3.1.05,13 ]tridecane

Suppliers and Price of hexahydro-1H,4H,7H-3a,6a,9a-triazaphenalene

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 7 raw suppliers

Chemical Property of hexahydro-1H,4H,7H-3a,6a,9a-triazaphenalene

Chemical Property:

Melting Point:40 °C (sublm)(Press: 0.03 Torr)
Boiling Point:253.1±8.0 °C(Predicted)
PKA:6.76±0.20(Predicted)
PSA：9.72000
Density:1.14±0.1 g/cm3(Predicted)
LogP:0.20080
XLogP3:1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:0
Exact Mass:181.157897619
Heavy Atom Count:13
Complexity:149

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CN2CCCN3C2N(C1)CCC3

Technology Process of hexahydro-1H,4H,7H-3a,6a,9a-triazaphenalene

There total 1 articles about hexahydro-1H,4H,7H-3a,6a,9a-triazaphenalene 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:

: 35980-62-2
1,5,9-triazacyclododecane trihydrobromide

: 67705-41-3
1,5,9-triazatricyclo[7.3.1.05,13 ]tridecane

Guidance literature:: Multi-step reaction with 2 steps

1: KOH / methanol

2: 2.) OH^- / 1.) ethanol, 2.) water

With potassium hydroxide; hydroxide; In methanol;
DOI:10.1021/ja00540a045

Reference yield: 96.0%

: 100-39-0
benzyl bromide

: 67705-41-3
1,5,9-triazatricyclo[7.3.1.05,13 ]tridecane

: 5-Benzyl-5,9-diaza-1-azonia-bicyclo[7.3.1]tridec-1⁽¹³⁾-ene; bromide

Guidance literature:: In chloroform; at 25 ℃; for 1.5h;
DOI:10.1039/c39870000886

Reference yield: 95.0%

: 67705-41-3
1,5,9-triazatricyclo[7.3.1.05,13 ]tridecane

: 84359-61-5
9-(3-bromopropyl)-9H-carbazole

: 1542616-03-4
1-[3-(9H-carbazol-9-yl)propyl]-1,5,9-triazacylododecane

Guidance literature:: 1,5,9-triazatricyclo[7.3.1.05,13 ]tridecane; 9-(3-bromopropyl)-9H-carbazole; In toluene; for 48h; Reflux;

With hydrogenchloride; In water; for 6h; Further stages; Reflux;
DOI:10.1007/s11426-013-5031-5