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

Base Information

Chemical Name:8-Chloro-5-phenyl-3,4,5,6-tetrahydro-2H-1,6-benzothiazocine
CAS No.:87697-05-0
Molecular Formula:C₁₆H₁₆ClNS
Molecular Weight:289.829
Hs Code.:
DSSTox Substance ID:DTXSID80520317

Synonyms:87697-05-0;DTXSID80520317;8-Chloro-5-phenyl-3,4,5,6-tetrahydro-2H-1,6-benzothiazocine

Suppliers and Price of 8-Chloro-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

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Chemical Property of 8-Chloro-5-phenyl-3,4,5,6-tetrahydro-2H-1,6-benzothiazocine

Chemical Property:

XLogP3:5.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:289.0691984
Heavy Atom Count:19
Complexity:280

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:C1CC(NC2=C(C=CC(=C2)Cl)SC1)C3=CC=CC=C3

Technology Process of 8-Chloro-5-phenyl-3,4,5,6-tetrahydro-2H-1,6-benzothiazocine

There total 4 articles about 8-Chloro-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: 30.0%

: 76293-52-2
8-chloro-3,4-dihydro-5-phenyl-2H-1,6-benzothiazocine

: 87697-05-0
8-chloro-3,4,5,6-tetrahydro-5-phenyl-2H-1,6-benzothiazocine

Guidance literature:: With lithium aluminium tetrahydride; In tetrahydrofuran; for 168h; Heating;
DOI:10.1021/jo00175a024

Reference yield:

: 615-48-5
2-amino-4-chloro-benzenethiol hydrochloride

: 87697-05-0
8-chloro-3,4,5,6-tetrahydro-5-phenyl-2H-1,6-benzothiazocine

Guidance literature:: Multi-step reaction with 3 steps

1: 1) sodium methoxide / 1.) methanol, 0.5 h, 2.) 3h, reflux

2: 54 percent / p-toluenesulfonic acid / toluene / 18 h / Heating

3: 30 percent / lithium aluminium hydride / tetrahydrofuran / 168 h / Heating

With lithium aluminium tetrahydride; sodium methylate; toluene-4-sulfonic acid; In tetrahydrofuran; toluene;
DOI:10.1021/jo00175a024

Reference yield:

: 87696-89-7
4-(2-Amino-4-chlorophenylthio)butyrophenone

: 87697-05-0
8-chloro-3,4,5,6-tetrahydro-5-phenyl-2H-1,6-benzothiazocine

Guidance literature:: Multi-step reaction with 2 steps

1: 54 percent / p-toluenesulfonic acid / toluene / 18 h / Heating

2: 30 percent / lithium aluminium hydride / tetrahydrofuran / 168 h / Heating

With lithium aluminium tetrahydride; toluene-4-sulfonic acid; In tetrahydrofuran; toluene;
DOI:10.1021/jo00175a024