8-Chloro-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one

Base Information

Chemical Name:8-Chloro-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one
CAS No.:110766-84-2
Molecular Formula:C9H8ClNOS
Molecular Weight:213.688
Hs Code.:
DSSTox Substance ID:DTXSID70550103
Nikkaji Number:J3.373.497B
Wikidata:Q82429319
Mol file:110766-84-2.mol

Synonyms:110766-84-2;8-chloro-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one;8-chloro-3,5-dihydro-2H-1,5-benzothiazepin-4-one;1,5-Benzothiazepin-4(5H)-one, 8-chloro-2,3-dihydro-;DTXSID70550103;AKOS023563940;EN300-332302;8-Chloro-2,3-dihydro-1,5-benzothiazepin-4(5H)-one;Z1509153639

Suppliers and Price of 8-Chloro-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-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
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price

Total 2 raw suppliers

Chemical Property of 8-Chloro-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one

Chemical Property:

XLogP3:1.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:0
Exact Mass:213.0015127
Heavy Atom Count:13
Complexity:212

Purity/Quality:: 99% ，98% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CSC2=C(C=CC(=C2)Cl)NC1=O

Technology Process of 8-Chloro-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-one

There total 1 articles about 8-Chloro-2,3,4,5-tetrahydro-1,5-benzothiazepin-4-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:

: 23474-98-8
2-amino-5-chlorobenzenethiol

: 57-57-8
β-Propiolactone

: 110766-84-2
8-Chloro-2,3-dihydro-5H-benzo[b][1,4]thiazepin-4-one

Guidance literature:: With acetic anhydride; Yield given. Multistep reaction; 1.) pyridine, room temp., 30 min;
DOI:10.1055/s-1987-28062

Reference yield: 80.0%

: 110766-84-2
8-Chloro-2,3-dihydro-5H-benzo[b][1,4]thiazepin-4-one

: 70-11-1
α-bromoacetophenone

: 8-Chloro-5-(2-oxo-2-phenyl-ethyl)-2,3-dihydro-5H-benzo[b][1,4]thiazepin-4-one

Guidance literature:: With potassium hydroxide; tetrabutylammomium bromide; In tetrahydrofuran; for 6h; Ambient temperature;
DOI:10.1016/0223-5234(96)88253-5

Reference yield:

: 110766-84-2
8-Chloro-2,3-dihydro-5H-benzo[b][1,4]thiazepin-4-one

: 8-Chloro-2-phenyl-4,5-dihydro-6-thia-3,10b-diaza-benzo[e]azulene

Guidance literature:: Multi-step reaction with 2 steps

1: 80 percent / tetrabutylammonium bromide, KOH / tetrahydrofuran / 6 h / Ambient temperature

2: 46 percent / ammonium acetate, gl. AcOH / 6 h / Heating

With ammonium acetate; potassium hydroxide; tetrabutylammomium bromide; acetic acid; In tetrahydrofuran;
DOI:10.1016/0223-5234(96)88253-5