3,7-Dibutyl-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane

Base Information

Chemical Name:3,7-Dibutyl-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane
CAS No.:90961-45-8
Molecular Formula:C₁₇H₃₄N₂
Molecular Weight:266.47
Hs Code.:
European Community (EC) Number:292-692-8
DSSTox Substance ID:DTXSID70238333
Nikkaji Number:J317.590A
Wikidata:Q83120630
ChEMBL ID:CHEMBL323442
Mol file:90961-45-8.mol

Synonyms:3,7-dibutyl-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane;EINECS 292-692-8;90961-45-8;3,7-Diazabicyclo(3.3.1)nonane, 3,7-dibutyl-9,9-dimethyl-;3,7-Dibutyl-9,9-dimethyl-3,7-diazabicyclo(3.3.1)nonane;N,N-Di-n-butyl-9,9-dimethyl-3,7-diazabicyclo(3.3.1)nonane;CHEMBL323442;SCHEMBL10673408;DTXSID70238333;LS-59670

Suppliers and Price of 3,7-Dibutyl-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane

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

American Custom Chemicals Corporation
3,7-DIBUTYL-9,9-DIMETHYL-3,7-DIAZABICYCLO[3.3.1]NONANE 95.00%
5MG
$ 503.72

Total 4 raw suppliers

Chemical Property of 3,7-Dibutyl-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane

Chemical Property:

Vapor Pressure:0.000366mmHg at 25°C
Boiling Point:318.2°Cat760mmHg
Flash Point:131.5°C
PSA：6.48000
Density:0.881g/cm³
LogP:3.35220
XLogP3:4.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:6
Exact Mass:266.272199093
Heavy Atom Count:19
Complexity:236

Purity/Quality:

99% ^*data from raw suppliers

3,7-DIBUTYL-9,9-DIMETHYL-3,7-DIAZABICYCLO[3.3.1]NONANE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCN1CC2CN(CC(C1)C2(C)C)CCCC

Technology Process of 3,7-Dibutyl-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane

There total 3 articles about 3,7-Dibutyl-9,9-dimethyl-3,7-diazabicyclo[3.3.1]nonane 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: 69.0%

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

: 90961-45-8
N,N-di-n-butyl-9,9-dimethyl-3,7-diaza bicyclo-(3,3,1)-nonane

Guidance literature:: With lithium aluminium tetrahydride; In tetrahydrofuran; toluene; at 120 ℃;
DOI:10.1021/jm970120q

Reference yield:

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

: 90961-45-8
N,N-di-n-butyl-9,9-dimethyl-3,7-diaza bicyclo-(3,3,1)-nonane

Guidance literature:: Multi-step reaction with 2 steps

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

2: 69 percent / LiAlH₄ / tetrahydrofuran; toluene / 120 °C

With lithium aluminium tetrahydride; potassium carbonate; In tetrahydrofuran; toluene;
DOI:10.1021/jm970120q

Reference yield:

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

: 90961-45-8
N,N-di-n-butyl-9,9-dimethyl-3,7-diaza bicyclo-(3,3,1)-nonane

Guidance literature:: Multi-step reaction with 3 steps

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

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

3: 69 percent / LiAlH₄ / tetrahydrofuran; toluene / 120 °C

With lithium aluminium tetrahydride; sulfuric acid; potassium carbonate; In tetrahydrofuran; toluene;
DOI:10.1021/jm970120q