1-(8-Chloro-5-phenyl-2,3,4,5-tetrahydro-6H-1,6-benzothiazocin-6-yl)ethan-1-one

Base Information

Chemical Name:1-(8-Chloro-5-phenyl-2,3,4,5-tetrahydro-6H-1,6-benzothiazocin-6-yl)ethan-1-one
CAS No.:87697-14-1
Molecular Formula:C₁₈H₁₈ClNOS
Molecular Weight:331.866
Hs Code.:
DSSTox Substance ID:DTXSID10520320

Synonyms:87697-14-1;DTXSID10520320;1-(8-Chloro-5-phenyl-2,3,4,5-tetrahydro-6H-1,6-benzothiazocin-6-yl)ethan-1-one

Suppliers and Price of 1-(8-Chloro-5-phenyl-2,3,4,5-tetrahydro-6H-1,6-benzothiazocin-6-yl)ethan-1-one

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 0 raw suppliers

Chemical Property of 1-(8-Chloro-5-phenyl-2,3,4,5-tetrahydro-6H-1,6-benzothiazocin-6-yl)ethan-1-one

Chemical Property:

XLogP3:4.4
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:331.0797631
Heavy Atom Count:22
Complexity:385

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(=O)N1C(CCCSC2=C1C=C(C=C2)Cl)C3=CC=CC=C3

Technology Process of 1-(8-Chloro-5-phenyl-2,3,4,5-tetrahydro-6H-1,6-benzothiazocin-6-yl)ethan-1-one

There total 5 articles about 1-(8-Chloro-5-phenyl-2,3,4,5-tetrahydro-6H-1,6-benzothiazocin-6-yl)ethan-1-one 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%

: 108-24-7
acetic anhydride

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

: 87697-14-1
6-acetyl-8-chloro-3,4,5,6-tetrahydro-5-phenyl-2h-1,6-benzothiazocine

Guidance literature:: In pyridine; for 48h; Heating;
DOI:10.1021/jo00175a024

Reference yield:

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

: 87697-14-1
6-acetyl-8-chloro-3,4,5,6-tetrahydro-5-phenyl-2h-1,6-benzothiazocine

Guidance literature:: Multi-step reaction with 4 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

4: 94 percent / pyridine / 48 h / Heating

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

Reference yield:

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

: 87697-14-1
6-acetyl-8-chloro-3,4,5,6-tetrahydro-5-phenyl-2h-1,6-benzothiazocine

Guidance literature:: Multi-step reaction with 3 steps

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

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

3: 94 percent / pyridine / 48 h / Heating

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