2-(Piperazin-1-yl)thiazole

Base Information

• Chemical Name: 2-(Piperazin-1-yl)thiazole
• CAS No.: 42270-37-1
• Molecular Formula: C7H11N3S
• Molecular Weight: 169.25
• Hs Code.: 2934100090
• European Community (EC) Number: 255-743-5
• UNII: JNH3UA8XDC
• DSSTox Substance ID: DTXSID40195101
• Nikkaji Number: J278.373H
• Wikidata: Q72508361
• Mol file: 42270-37-1.mol

Synonyms:42270-37-1;2-(Piperazin-1-yl)thiazole;1-Thiazol-2-yl-piperazine;1-(1,3-thiazol-2-yl)piperazine;2-piperazin-1-yl-1,3-thiazole;1-(2-thiazolyl)piperazine;1-Thiazole-2-yl-piperazine;1-(Thiazol-2-yl)piperazine;1-Thiazol-2-ylpiperazine;EINECS 255-743-5;MFCD00778419;JNH3UA8XDC;2-(1-Piperazinyl)thiazole;SCHEMBL5088;1-thiazole-2-yl-piperizine;1-(2-thiazolyl) piperazine;1-(2-thiazolyl)-piperazine;2-(1-piperazinyl)-thiazole;1-(2-thia-zolyl) piperazine;DTXSID40195101;STL563225;AKOS000123099;FS-1635;1-thiazol-2-yl-piperazine, AldrichCPR;AM803887;A6908;BB 0260738;CS-0122173;FT-0639781;T3273;EN300-25426;J-505159;F2158-0916

Chemical Property of 2-(Piperazin-1-yl)thiazole

Chemical Property:

• Appearance/Colour: Colorless to pale yellow liquid
• Vapor Pressure: 0.00176mmHg at 25°C
• Refractive Index: 1.573
• Boiling Point: 293.1 °C at 760 mmHg
• PKA: 8.40±0.10(Predicted)
• Flash Point: 131.1 °C
• PSA: 56.40000
• Density: 1.205 g/cm³
• LogP: 0.94650
• Storage Temp.: Keep in dark place,Inert atmosphere,Room temperature
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 169.06736854
• Heavy Atom Count: 11
• Complexity: 125

Purity/Quality:

99% ^*data from raw suppliers

1-Thiazol-2-yl-piperazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi,Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CN(CCN1)C2=NC=CS2
• Uses: 1-Thiazol-2-yl-piperazine is used to study anti-HIV 6-Desfluoroquinolones.

Technology Process of 2-(Piperazin-1-yl)thiazole

There total 8 articles about 2-(Piperazin-1-yl)thiazole 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: 91.0%

piperazine (110-85-0) + 2-bromo-1,3-thiazole (3034-53-5,215777-74-5) → 1-thiazol-2-yl-piperazine (42270-37-1)

Guidance literature:

With sodium carbonate; In butan-1-ol; at 20 ℃; for 20h; Reflux;

Reference yield:

2-chlorothiazole (3034-52-4) + piperazine hydrochloride (7542-23-6,8006-71-1) → 1-thiazol-2-yl-piperazine (42270-37-1) + 1,4-bis(2-thiazolyl)-1,4-diazacyclohexane (131136-87-3)

Guidance literature:

2-chlorothiazole; piperazine hydrochloride; With 1H-imidazole; at 20 ℃; for 0.5h; Green chemistry;

With sodium chloride; In water; for 10h; Overall yield = 82 %; chemoselective reaction; Reflux; Green chemistry;

DOI:10.1080/00397911.2013.804931

Reference yield:

piperazine (110-85-0) + 2-bromo-1,3-thiazole (3034-53-5,215777-74-5) → 1-(2-Thiazolyl)-4-o-tolylacetylpiperazine + 1-thiazol-2-yl-piperazine (42270-37-1)

Guidance literature:

With sodium hydroxide; sodium carbonate; In pentan-1-ol;

upstream raw materials:

piperazine

2-chlorothiazole

2-bromo-1,3-thiazole

tert-butyl 4-(thiazol-2-yl)piperazine-1-carboxylate

Downstream raw materials:

(1R,2R)-N-(1-cyanocyclopropyl)-2-{[4-(1,3-thiazol-2-yl)piperazin-1-yl]carbonyl}cyclohexanecarboxamide

Refernces

• 1、 Verma, Sanjeev K.,Ghorpade, Ramarao,Kaushik. "Arylation of amines and monoarylation of symmetrical diamines in the presence of brine solution with diheteroaryl halides". supporting information. p. 2645 - 2655. Retrieved 2014/08/18.
• 2、 Verma, Sanjeev K.,Acharya,Kaushik. "Chemospecific and ligand free CuI catalysed heterogeneous N-arylation of amines with diheteroaryl halides at room temperature". supporting information; experimental part. p. 1324 - 1327. Retrieved 2011/04/16.