3-Piperazinyl-1,2-benzisothiazole hydrochloride

Base Information

• Chemical Name: 3-Piperazinyl-1,2-benzisothiazole hydrochloride
• CAS No.: 87691-88-1
• Molecular Formula: C11H14N3ClS
• Molecular Weight: 255.771
• Hs Code.: 29349990
• Mol file: 87691-88-1.mol

Synonyms:1,2-Benzisothiazole,3-(1-piperazinyl)-, monohydrochloride (9CI);3-(1-Piperazinyl)-1,2-benzisothiazolemonohydrochloride;3-Piperazin-1-yl-benzo[d]isothiazole hydrochloride;4-(1,2-Benzisothiazol-3-yl)piperazine hydrochloride;

Chemical Property of 3-Piperazinyl-1,2-benzisothiazole hydrochloride

Chemical Property:

• Vapor Pressure: 0.000323mmHg at 25°C
• Boiling Point: 320.2 °C at 760 mmHg
• Flash Point: 147.4 °C
• PSA: 56.40000
• LogP: 2.90170
• Storage Temp.: Inert atmosphere,Room Temperature

Purity/Quality:

99%min ^*data from raw suppliers

3-(1-Piperazinyl)-1,2-benzisothiazoleHydrochloride(1:1)(ZiprasidoneRelatedCompoundA) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 3-(1-Piperazinyl)-1,2-benzisothiazole Hydrochloride (1:1), is a building block used for the preparation of Ziprasidone (Z485000), a combined serotonin (5HT2) and dopamine (D2) receptor antagonist. Also used as an antipsychotic.

Technology Process of 3-Piperazinyl-1,2-benzisothiazole hydrochloride

There total 9 articles about 3-Piperazinyl-1,2-benzisothiazole hydrochloride 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: 80.0%

piperazine (110-85-0) + 3-chloro-1,2-benzisothiazole (7716-66-7) → 3-(1-piperazinyl)-1,2-benzisothiazole hydrochloride (87691-88-1,133070-64-1,144010-02-6)

Guidance literature:

With hydrogenchloride; In water; isopropyl alcohol; toluene; tert-butyl alcohol;

Reference yield: 72.0%

piperazine (110-85-0) + 2,2 dithiobis(benzonitrile) (33174-74-2) → 3-(1-piperazinyl)-1,2-benzisothiazole hydrochloride (87691-88-1,133070-64-1,144010-02-6)

Guidance literature:

With sodium hypochlorite; In dimethyl sulfoxide; isopropyl alcohol; at 80 - 125 ℃; for 24h; Temperature; Solvent; Inert atmosphere; Large scale;

DOI:10.1021/op980210k

Reference yield: 70.0%

piperazine (110-85-0) + 2-cyanothiophenol (34761-11-0) → 3-(1-piperazinyl)-1,2-benzisothiazole hydrochloride (87691-88-1,133070-64-1,144010-02-6)

Guidance literature:

In dimethyl sulfoxide; isopropyl alcohol; at 120 ℃; for 25h;

DOI:10.1021/op980210k

upstream raw materials:

piperazine

3-chloro-1,2-benzisothiazole

2,2 dithiobis(benzonitrile)

trimethyleneglycol

Refernces

• 1、 -. "PRO-DRUGS OF 5-(2-(4-(1,2-BENZISOTHIAZOL-3-YL)-1-PIPERAZINYL)ETHYL)-6-CHLORO-1,3-DIHYDRO-2H-INDOL-2-ONE". . . Retrieved 2008/06/13.
• 2、 -. "Pro-drugs of 5-(2-(4-(1,2-benzisothiazol-3-yl)-1-piperazinyl)ethyl)-6-chloro-1,3-dihydro-2h-indol-2-one". . . Retrieved 2008/06/13.