8-Chloro-5-(4-fluorophenyl)-3,4,5,6-tetrahydro-2H-1,6-benzothiazocine

Base Information

Chemical Name:8-Chloro-5-(4-fluorophenyl)-3,4,5,6-tetrahydro-2H-1,6-benzothiazocine
CAS No.:87697-04-9
Molecular Formula:C16H15ClFNS
Molecular Weight:307.819
Hs Code.:
DSSTox Substance ID:DTXSID20520316

Synonyms:87697-04-9;8-Chloro-5-(4-fluorophenyl)-3,4,5,6-tetrahydro-2H-1,6-benzothiazocine;DTXSID20520316

Suppliers and Price of 8-Chloro-5-(4-fluorophenyl)-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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Chemical Property of 8-Chloro-5-(4-fluorophenyl)-3,4,5,6-tetrahydro-2H-1,6-benzothiazocine

Chemical Property:

XLogP3:5.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:307.0597765
Heavy Atom Count:20
Complexity:309

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

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

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

There total 2 articles about 8-Chloro-5-(4-fluorophenyl)-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: 65.0%

: 87696-85-3
(E)-8-Chloro-5-(4-fluoro-phenyl)-3,4-dihydro-2H-benzo[b][1,4]thiazocine

: 87697-04-9
8-Chloro-5-(4-fluoro-phenyl)-3,4,5,6-tetrahydro-2H-benzo[b][1,4]thiazocine

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

Reference yield:

: 4-(2-Amino-4-chloro-phenylsulfanyl)-1-(4-fluoro-phenyl)-butan-1-one

: 87697-04-9
8-Chloro-5-(4-fluoro-phenyl)-3,4,5,6-tetrahydro-2H-benzo[b][1,4]thiazocine

Guidance literature:: Multi-step reaction with 2 steps

1: 84 percent / p-toluenesulfonic acid / toluene / Heating

2: 65 percent / lithium aluminium hydride / tetrahydrofuran / Heating

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