5-Butyl-5-phenyl-3,4,5,6-tetrahydro-2H-1,6-benzothiazocine

Base Information

Chemical Name:5-Butyl-5-phenyl-3,4,5,6-tetrahydro-2H-1,6-benzothiazocine
CAS No.:87697-17-4
Molecular Formula:C₂₀H₂₅NS
Molecular Weight:311.491
Hs Code.:
DSSTox Substance ID:DTXSID90520323

Synonyms:87697-17-4;DTXSID90520323;5-Butyl-5-phenyl-3,4,5,6-tetrahydro-2H-1,6-benzothiazocine

Suppliers and Price of 5-Butyl-5-phenyl-3,4,5,6-tetrahydro-2H-1,6-benzothiazocine

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 5-Butyl-5-phenyl-3,4,5,6-tetrahydro-2H-1,6-benzothiazocine

Chemical Property:

XLogP3:6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:311.17077098
Heavy Atom Count:22
Complexity:326

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCC1(CCCSC2=CC=CC=C2N1)C3=CC=CC=C3

Technology Process of 5-Butyl-5-phenyl-3,4,5,6-tetrahydro-2H-1,6-benzothiazocine

There total 3 articles about 5-Butyl-5-phenyl-3,4,5,6-tetrahydro-2H-1,6-benzothiazocine 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: 52.0%

: 109-72-8,29786-93-4
n-butyllithium

: 76293-51-1
3,4-dihydro-5-phenyl-2H-1,6-benzothiazocine

: 87697-17-4
5-butyl-3,4,5,6-tetrahydro-5-phenyl-2H-1,6-benzothiazocine

Guidance literature:: In tetrahydrofuran; hexane; for 18h; Ambient temperature;
DOI:10.1021/jo00175a024

Reference yield:

: 137-07-5
2-amino-benzenethiol

: 87697-17-4
5-butyl-3,4,5,6-tetrahydro-5-phenyl-2H-1,6-benzothiazocine

Guidance literature:: Multi-step reaction with 2 steps

1: 16 percent / triethylamine / toluene / Heating

2: 52 percent / tetrahydrofuran; hexane / 18 h / Ambient temperature

With triethylamine; In tetrahydrofuran; hexane; toluene;
DOI:10.1021/jo00175a024

Reference yield:

: 939-52-6
4-chloro-1-phenylbutan-1-one

: 87697-17-4
5-butyl-3,4,5,6-tetrahydro-5-phenyl-2H-1,6-benzothiazocine

Guidance literature:: Multi-step reaction with 2 steps

1: 16 percent / triethylamine / toluene / Heating

2: 52 percent / tetrahydrofuran; hexane / 18 h / Ambient temperature

With triethylamine; In tetrahydrofuran; hexane; toluene;
DOI:10.1021/jo00175a024