3,4,5-Tris(dodecyloxy)aniline

Base Information

• Chemical Name: 3,4,5-Tris(dodecyloxy)aniline
• CAS No.: 151237-05-7
• Molecular Formula: C42H79NO3
• Molecular Weight: 646.094
• DSSTox Substance ID: DTXSID00566434
• Nikkaji Number: J2.125.469J
• Wikidata: Q82452039
• Mol file: 151237-05-7.mol

Synonyms:3,4,5-tris(dodecyloxy)aniline;151237-05-7;3,4,5-tridodecoxyaniline;Benzenamine, 3,4,5-tris(dodecyloxy)-;3,4,5-Tris(dodecyloxy)-benzenamine;SCHEMBL989755;DTXSID00566434;JMTJOYSOISUALH-UHFFFAOYSA-N;BGA23705;MFCD28148203

Chemical Property of 3,4,5-Tris(dodecyloxy)aniline

Chemical Property:

• XLogP3: 17.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 36
• Exact Mass: 645.60599538
• Heavy Atom Count: 46
• Complexity: 551

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCOC1=CC(=CC(=C1OCCCCCCCCCCCC)OCCCCCCCCCCCC)N

Technology Process of 3,4,5-Tris(dodecyloxy)aniline

There total 16 articles about 3,4,5-Tris(dodecyloxy)aniline 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: 94.0%

C44H81NO5 → 3,4,5-tris(dodec-1-yloxy)aniline (151237-05-7)

Guidance literature:

With palladium on activated charcoal; hydrogen; In tetrahydrofuran;

DOI:10.1021/ma201610y

Reference yield: 92.8%

3,4,5-tris(n-dodecan-1-yloxy)-1-nitrobenzene (151237-01-3) → 3,4,5-tris(dodec-1-yloxy)aniline (151237-05-7)

Guidance literature:

With pyrographite; hydrazine hydrate; In ethanol; for 24h; Heating;

DOI:10.1002/(SICI)1521-3765(19990301)5:3<1070::AID-CHEM1070>3.0.CO;2-9

Reference yield:

1-dodecylbromide (143-15-7) → 3,4,5-tris(dodec-1-yloxy)aniline (151237-05-7)

Guidance literature:

Multi-step reaction with 3 steps

1: 86 percent / K₂CO₃ / dimethylformamide / 6 h / 60 °C

2: 82 percent / silica gel-supported nitric acid / CH₂Cl₂ / 0.25 h

3: 92 percent / hydrazine monohydrate; graphite / ethanol / 12 h / Heating

With nitric acid; silica gel; potassium carbonate; pyrographite; hydrazine hydrate; In ethanol; dichloromethane; N,N-dimethyl-formamide;

DOI:10.1021/ja0665848

upstream raw materials:

3,4,5-tris(n-dodecan-1-yloxy)-1-nitrobenzene

1-dodecylbromide

1,2,3-tris(n-dodecan-1-yloxy)benzene

2-hydroxyresorcinol

Downstream raw materials:

3,4,5-tris(n-dodecan-1-yloxy)-1-iodobenzene