3-Piperazinyl-1,2-Benzisothiazole Hydrochloride

Base Information

• Chemical Name: 3-Piperazinyl-1,2-Benzisothiazole Hydrochloride
• CAS No.: 144010-02-6
• Molecular Formula: C₁₁H₁₃N₃S*ClH
• Molecular Weight: 255.771
• European Community (EC) Number: 421-310-6,604-388-8,618-049-7
• UNII: OSY1987N5V
• ChEMBL ID: CHEMBL1204336
• DSSTox Substance ID: DTXSID30236557
• Wikidata: Q27285821
• Mol file: 144010-02-6.mol

Synonyms:87691-88-1;3-Piperazinobenzisothiazole hydrochloride;144010-02-6;3-Piperazinyl-1,2-Benzisothiazole Hydrochloride;3-(Piperazin-1-yl)benzo[d]isothiazole hydrochloride;3-(1-piperazinyl)-1,2-Benzisothiazole hydrochloride;3-Piperazin-1-yl-benzo[d]isothiazole hydrochloride;3-(Piperazin-1-yl)benzo[d]isothiazole xhydrochloride;3-(piperazin-1-yl)-1,2-benzothiazole hydrochloride;3-(1-Piperazinyl)-1,2-benzisothiazole monohydrochloride;3-piperazin-1-yl-1,2-benzothiazole;hydrochloride;4-(1,2-Benzisothiazol-3-yl)piperazine hydrochloride;OSY1987N5V;CHEMBL1204336;1,2-Benzisothiazole, 3-(1-piperazinyl)-, hydrochloride (1:1);3-PIPERAZINOBENZISOTHIAZOLE;MFCD00674131;3-Piperazinyl-1,2-benzisothiazole, HCl;3-piperazin-1-yl-1,2-benzisothiazole hydrochloride;3-(Piperazin-1-yl)benzo[d]isothiazolexhydrochloride;C11H14ClN3S;UNII-OSY1987N5V;1,2-Benzisothiazole, 3-(1-piperazinyl)-, monohydrochloride;3-(1-Piperazinyl)-1,2-benzisothiazole HCl;BITP HCl;1,2-Benzisothiazole, 3-(1-piperazinyl)-, hydrochloride;1,2-benzisothiazole,3-(1-piperazinyl)hcl;EC 421-310-6;3-piperazin-1-yl-1,2-benzothiazole hydrochloride;MLS000718830;1-(1,2-benzisothiazol-3-yl)piperazine hydrochloride;3-piperazinobenzisothiazole HCl;SCHEMBL1737330;DTXSID30236557;DOQLJTKEUIJSKK-UHFFFAOYSA-N;BCP13330;BCP21339;AKOS015849232;AC-3233;DS-1121;SB14699;AC-26997;SMR000291098;SY004864;SY112272;CS-0097776;FT-0606283;FT-0616361;NS00078547;3-piperazin-1-yl-benzoisothiazole hydrochloride;EN300-651470;A808152;A862467;1-(1,2-benzisothiazol-3-yl)piperazine hydrochoride;J-513071;3-(1-piperazinyl)-1,2-benzoisothiazole hydrochloride;3-(Piperazin-1-yl)-benzo(d)isothiazole hydrochloride;Q27285821;3-(Piperazin-1-yl)benzo[d]isothiazole monohydrochloride

Chemical Property of 3-Piperazinyl-1,2-Benzisothiazole Hydrochloride

Chemical Property:

• Vapor Pressure: 0.000323mmHg at 25°C
• Boiling Point: 320.2oC at 760mmHg
• Flash Point: 147.4oC
• PSA: 56.40000
• LogP: 2.90170
• Storage Temp.: Inert atmosphere,Room Temperature
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 255.0596963
• Heavy Atom Count: 16
• Complexity: 218

Purity/Quality:

99% ^*data from raw suppliers

3-(Piperazin-1-yl)benzo[d]isothiazolexhydrochloride 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1)C2=NSC3=CC=CC=C32.Cl

Technology Process of 3-Piperazinyl-1,2-Benzisothiazole Hydrochloride

There total 14 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: 87.3%

piperazine (110-85-0) + benzo[d]isothiazole-3-p-nitrobenzenesulfonate → 3-(piperazin-1-yl)-1,2-benzisothiazole hydrochloride (133070-64-1,144010-02-6)

Guidance literature:

With hydrogenchloride; In water; at 60 - 70 ℃; Large scale;

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: 80.0%

piperazine (110-85-0) + benzo[d]isothiazole-3-yl methanesulfonate → 3-(piperazin-1-yl)-1,2-benzisothiazole hydrochloride (133070-64-1,144010-02-6)

Guidance literature:

With hydrogenchloride; In ethanol; water; at 50 - 60 ℃; Large scale;

upstream raw materials:

piperazine

3-chloro-1,2-benzisothiazole

2,2 dithiobis(benzonitrile)

trimethyleneglycol

Downstream raw materials:

(3aR,7aR)-4’-(benzo[d]isothiazol-3-yl)octahydrospiro[isoindole-2,1’-piperazin]-2-ium methanesulfonate

Refernces

• 1、 -. "Processes and intermediates for preparing 3-(1-piperazinyl)-1,2-benzisothiazole". . . Retrieved 2008/06/13.
• 2、 Walinsky, Stanley W.,Fox, Darrell E.,Lambert, John F.,Sinay, Terry G.. "New disulfide route to 3-(1-piperazinyl)-1,2-benzisothiazole. Nucleus for atypical antipsychotic drugs". . p. 126 - 130. Retrieved 2013/09/08.