2-[1,4]Diazepan-1-yl-benzothiazole

Base Information

• Chemical Name: 2-[1,4]Diazepan-1-yl-benzothiazole
• CAS No.: 111628-37-6
• Molecular Formula: C12H15N3S
• Molecular Weight: 233.3326
• Mol file: 111628-37-6.mol

Synonyms:2-[1,4]Diazepan-1-yl-benzothiazole;2-(1,4-Diazepan-1-yl)benzo[d]thiazole

Chemical Property of 2-[1,4]Diazepan-1-yl-benzothiazole

Chemical Property:

• PSA: 56.40000
• LogP: 2.48980

Purity/Quality:

99% ^*data from raw suppliers

2-(1,4-Diazepan-1-yl)benzo[d]thiazole 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-[1,4]Diazepan-1-yl-benzothiazole

There total 3 articles about 2-[1,4]Diazepan-1-yl-benzothiazole 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: 88.0%

2-chlorobenzo[d][1,3]thiazole (615-20-3) + homopiperazine monohydrochloride → 2-(1-Homopiperazinyl)benzothiazole (111628-37-6)

Guidance literature:

2-chlorobenzo[d][1,3]thiazole; homopiperazine monohydrochloride; With 1H-imidazole; at 20 ℃; for 0.5h; Green chemistry;

With sodium chloride; In water; for 10h; chemoselective reaction; Reflux; Green chemistry;

DOI:10.1080/00397911.2013.804931

Reference yield: 85.0%

1,4-Diazacycloheptane (505-66-8) + 2-chlorobenzo[d][1,3]thiazole (615-20-3) → 2-(1-Homopiperazinyl)benzothiazole (111628-37-6)

Guidance literature:

With sodium hydrogencarbonate; In isopropyl alcohol; for 12h; Heating;

DOI:10.1016/S0014-827X(99)00081-6

Reference yield:

1,4-Diazacycloheptane (505-66-8) + 2-chloro-1H-benzoimidazole (4857-06-1) + homopiperazine dihydrochloride (5769-36-8,55370-54-2) → C19H18N4S2 + 2-(1-Homopiperazinyl)benzothiazole (111628-37-6)

Guidance literature:

1,4-Diazacycloheptane; homopiperazine dihydrochloride; In water; for 0.5h; Green chemistry;

2-chloro-1H-benzoimidazole; With 1H-imidazole; sodium chloride; In water; for 10h; Overall yield = 64 %; chemoselective reaction; Reflux; Green chemistry;

DOI:10.1080/00397911.2013.804931

upstream raw materials:

1,4-Diazacycloheptane

2-chlorobenzo[d][1,3]thiazole

2-chloro-1H-benzoimidazole

homopiperazine dihydrochloride

Downstream raw materials:

9-[4-(4-benzothiazol-2-yl-[1.4]diazepan-1-yl)-butyl]-9H-fluorene-9-carboxylic Acid-4-methoxy-benzylamide

9-[4-(4-benzothiazol-2-yl-[1.4]diazepan-1-yl)-butyl]-9H-fluorene-9-carboxylic Acid-4-fluoro-benzylamide

Refernces

• 1、 Walczynski, Krzysztof,Guryn, Roman,Zuiderveld, Obbe P.,Timmerman, Henk. "Non-imidazole histamine H3 ligands. Part I. Synthesis of 2-(1-piperazinyl)- and 2-(hexahydro-1H-1,4-diazepin-1-yl)benzothiazole derivatives as H3-antagonists with H1 blocking activities". . p. 684 - 694. Retrieved 2007/10/03.