3,4,5-Tris[(S)-3,7-dimethyloctyloxy]aniline

Base Information

Chemical Name:3,4,5-Tris[(S)-3,7-dimethyloctyloxy]aniline
CAS No.:480445-08-7
Molecular Formula:C36H67NO3
Molecular Weight:561.933
Hs Code.:
DSSTox Substance ID:DTXSID30462157
Nikkaji Number:J2.923.917G
Wikidata:Q82286655
Mol file:480445-08-7.mol

Synonyms:480445-08-7;CTK1C7017;3,4,5-Tris[(S)-3,7-dimethyloctyloxy]aniline;DTXSID30462157

Suppliers and Price of 3,4,5-Tris[(S)-3,7-dimethyloctyloxy]aniline

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

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Total 0 raw suppliers

Chemical Property of 3,4,5-Tris[(S)-3,7-dimethyloctyloxy]aniline

Chemical Property:

PSA：53.71000
LogP:11.54390
XLogP3:13.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:24
Exact Mass:561.51209500
Heavy Atom Count:40
Complexity:544

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)CCCC(C)CCOC1=CC(=CC(=C1OCCC(C)CCCC(C)C)OCCC(C)CCCC(C)C)N
Isomeric SMILES:C[C@@H](CCCC(C)C)CCOC1=CC(=CC(=C1OCC[C@@H](C)CCCC(C)C)OCC[C@@H](C)CCCC(C)C)N

Technology Process of 3,4,5-Tris[(S)-3,7-dimethyloctyloxy]aniline

There total 10 articles about 3,4,5-Tris[(S)-3,7-dimethyloctyloxy]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%

: 921229-76-7
3,4,5-tris((S)-3,7-dimethyloctan-1-yloxy)-1-nitrobenzene

: 480445-08-7
3,4,5-tris((S)-3,7-dimethyloctan-1-yloxy)-1-aminobenzene

Guidance literature:: With pyrographite; hydrazine hydrate; In ethanol; for 12h; Heating;
DOI:10.1021/ja0665848

Reference yield:

: 921229-75-6
1,2,3-tris((S)-3,7-dimethyloctan-1-yloxy)benzene

: 480445-08-7
3,4,5-tris((S)-3,7-dimethyloctan-1-yloxy)-1-aminobenzene

Guidance literature:: Multi-step reaction with 2 steps

1: 86 percent / silica gel-supported nitric acid / CH₂Cl₂ / 0.08 h

2: 94 percent / hydrazine monohydrate; graphite / ethanol / 12 h / Heating

With nitric acid; silica gel; pyrographite; hydrazine hydrate; In ethanol; dichloromethane;
DOI:10.1021/ja0665848

Reference yield:

: 3383-83-3,59965-20-7,72746-96-4,79434-89-2
(S)-1-bromo-3,7-dimethyloctane

: 480445-08-7
3,4,5-tris((S)-3,7-dimethyloctan-1-yloxy)-1-aminobenzene

Guidance literature:: Multi-step reaction with 3 steps

1: 90 percent / K₂CO₃ / dimethylformamide / 6 h / 60 °C

2: 86 percent / silica gel-supported nitric acid / CH₂Cl₂ / 0.08 h

3: 94 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