2-Piperidinobenzothiazole

Base Information

• Chemical Name: 2-Piperidinobenzothiazole
• CAS No.: 2851-08-3
• Molecular Formula: C12H14 N2 S
• Molecular Weight: 218.323
• Hs Code.: 2934999090
• European Community (EC) Number: 220-658-4
• NSC Number: 55897
• DSSTox Substance ID: DTXSID60182730
• Nikkaji Number: J306.778E
• Wikidata: Q72500636
• ChEMBL ID: CHEMBL1724858
• Mol file: 2851-08-3.mol

Synonyms:2851-08-3;2-Piperidinobenzothiazole;2-(Piperidin-1-yl)benzo[d]thiazole;2-Piperidin-1-yl-benzothiazole;2-piperidin-1-yl-1,3-benzothiazole;NSC55897;2-(1-Piperidinyl)-1,3-benzothiazole;2-(piperidin-1-yl)-1,3-benzothiazole;MLS002667786;Benzothiazole,2-(1-piperidinyl)-;Oprea1_410610;SCHEMBL7217567;CHEMBL1724858;DTXSID60182730;HMS3079D10;EINECS 220-658-4;2-(1-piperidyl)-1,3-benzothiazole;NSC 55897;NSC-55897;AKOS000347570;SMR001557545;FT-0717507

Chemical Property of 2-Piperidinobenzothiazole

Chemical Property:

• Vapor Pressure: 4.67E-05mmHg at 25°C
• Melting Point: 95-96℃
• Boiling Point: 349.5°Cat760mmHg
• Flash Point: 165.2°C
• PSA: 44.37000
• Density: 1.222g/cm³
• LogP: 3.35160
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 218.08776963
• Heavy Atom Count: 15
• Complexity: 216

Purity/Quality:

99% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCN(CC1)C2=NC3=CC=CC=C3S2

Technology Process of 2-Piperidinobenzothiazole

There total 53 articles about 2-Piperidinobenzothiazole 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: 99.0%

piperidine (110-89-4) + 2-chlorobenzo[d][1,3]thiazole (615-20-3) → 2-(piperidin-1-yl)benzo[d]thiazole (2851-08-3)

Guidance literature:

With potassium phosphate; (1,3,5-triaza-7-phosphaadamantan-1-ium-1-yl)butane-1-sulfonate; copper(II) acetate monohydrate; In water; at 30 ℃; for 22h; Schlenk technique; Inert atmosphere;

DOI:10.1021/acs.joc.1c00845

Reference yield: 98.0%

C12H15IN2S (1224507-79-2) → 2-(piperidin-1-yl)benzo[d]thiazole (2851-08-3)

Guidance literature:

With 1,10-Phenanthroline; copper(l) chloride; In N,N-dimethyl-formamide; at 100 ℃;

DOI:10.1039/c6ob02413k

Reference yield: 96.0%

(1H-benzo[d][1,2,3]triazol-1-yl)(piperidin-1-yl)methanethione → 2-(piperidin-1-yl)benzo[d]thiazole (2851-08-3)

Guidance literature:

With 2,2'-azobis(isobutyronitrile); tris-(trimethylsilyl)silane; In toluene; at 110 ℃; for 0.2h; Time; Inert atmosphere;

DOI:10.1021/jo4024107

upstream raw materials:

piperidine

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

benzothiazole-2-sulphonic acid

1-Aminopiperidine

Refernces

• 1、 Yoon, Hongju,Lee, Yunmi. "Copper-Catalyzed Electrophilic Amination of Heteroarenes via C-H Alumination". . p. 10244 - 10251. Retrieved 2015.
• 2、 Dong, Jinhuan,Hu, Junlin,Liu, Xiaoli,Sun, Shaoguang,Bao, Lan,Jia, Mengying,Xu, Xianxiu. "Ionic Reactivity of 2-Isocyanoaryl Thioethers: Access to 2-Halo and 2-Aminobenzothia/Selenazoles". . p. 2845 - 2852. Retrieved 2022/02/23.
• 3、 Jichkar, Atul A.,Karade, Nandkishor N.,Opai, Imran A.. "N-Iodosuccinimide mediated intramolecular oxidative C(sp 2)-S bond formation for the synthesis of 2-aminobenzothiazole derivatives". . . Retrieved 2021/10/21.