3,7-Dibutyl-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone

Base Information

Chemical Name:3,7-Dibutyl-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone
CAS No.:90961-84-5
Molecular Formula:C₁₇H₂₆N₂O₄
Molecular Weight:322.404
Hs Code.:
European Community (EC) Number:292-693-3
DSSTox Substance ID:DTXSID20920034
Nikkaji Number:J317.591J
Wikidata:Q82892684
Mol file:90961-84-5.mol

Synonyms:90961-84-5;3,7-dibutyl-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone;EINECS 292-693-3;3,7-Dibutyl-9,9-dimethyl-3,7-diazabicyclo(3.3.1)nonane-2,4,6,8-tetrone;DTXSID20920034

Suppliers and Price of 3,7-Dibutyl-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone

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
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price

Total 5 raw suppliers

Chemical Property of 3,7-Dibutyl-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Boiling Point:485.8°Cat760mmHg
Flash Point:211°C
PSA：74.76000
Density:1.117g/cm³
LogP:1.45860
XLogP3:2.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:6
Exact Mass:322.18925731
Heavy Atom Count:23
Complexity:463

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

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCN1C(=O)C2C(=O)N(C(=O)C(C1=O)C2(C)C)CCCC

Technology Process of 3,7-Dibutyl-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone

There total 2 articles about 3,7-Dibutyl-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane-2,4,6,8-tetrone 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:

: 61193-04-2
3-(R,S),5-(R,S)-3,5-dicyano-4,4-dimethyl-2,6-dioxopiperidine

: 90961-84-5
3,7-Dibutyl-9,9-dimethyl-3,7-diaza-bicyclo[3.3.1]nonane-2,4,6,8-tetraone

Guidance literature:: Multi-step reaction with 2 steps

1: 50 percent / 60percent aq. H₂SO₄ / 120 - 140 °C

2: 1.) K₂CO₃ / 1.) DMF, reflux, 1 h, 2.) DMF, reflux, 3 h

With sulfuric acid; potassium carbonate;
DOI:10.1021/jm970120q

Reference yield:

: 109-65-9
1-bromo-butane

: 90961-73-2
9,9-dimethyl-2,4,6,8-tetraoxo-3,7-diazabicyclo[3.3.1]nonane

: 90961-84-5
3,7-Dibutyl-9,9-dimethyl-3,7-diaza-bicyclo[3.3.1]nonane-2,4,6,8-tetraone

Guidance literature:: With potassium carbonate; Yield given. Multistep reaction; 1.) DMF, reflux, 1 h, 2.) DMF, reflux, 3 h;
DOI:10.1021/jm970120q