2-(Thiophen-2-yl)-2,3-dihydro-1,3-benzothiazole

Base Information

• Chemical Name: 2-(Thiophen-2-yl)-2,3-dihydro-1,3-benzothiazole
• CAS No.: 58567-93-4
• Molecular Formula: C₁₁H₉NS₂
• Molecular Weight: 219.331
• DSSTox Substance ID: DTXSID00528335
• Nikkaji Number: J2.817.015G
• Mol file: 58567-93-4.mol

Synonyms:58567-93-4;2-(Thiophen-2-yl)-2,3-dihydro-1,3-benzothiazole;SCHEMBL9130387;DTXSID00528335

Chemical Property of 2-(Thiophen-2-yl)-2,3-dihydro-1,3-benzothiazole

Chemical Property:

• Vapor Pressure: 6.23E-06mmHg at 25°C
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 219.01764164
• Heavy Atom Count: 14
• Complexity: 210

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)NC(S2)C3=CC=CS3

Technology Process of 2-(Thiophen-2-yl)-2,3-dihydro-1,3-benzothiazole

There total 1 articles about 2-(Thiophen-2-yl)-2,3-dihydro-1,3-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: 76.0%

thiophene-2-carbaldehyde (98-03-3) + 2-amino-benzenethiol (137-07-5) → 2-<(thien-2-ylmethylene)amino>benzenethiol (58567-93-4)

Guidance literature:

In ethanol; for 2h; Inert atmosphere; Reflux;

DOI:10.1016/j.ica.2010.09.002

Reference yield: 48.9%

2-<(thien-2-ylmethylene)amino>benzenethiol (58567-93-4) + cadmium(II) acetate dihydrate (5743-04-4) → acetato[bis(N-2-thiolophenyl-2'-thienylmethyleneimine)cadmium]

Guidance literature:

In ethanol; Cd salt was added to EtOH soln. of ligand; suction, washing with EtOH and EtOH/H2O, drying in vac. over CaCl2; elem. anal.;

DOI:10.1016/S0277-5387(00)84349-1

Reference yield:

copper(II) perchlorate hexahydrate + 2-<(thien-2-ylmethylene)amino>benzenethiol (58567-93-4) → 3Cu(2+)*4C11H8NS2(1-)*2ClO4(1-)*2H2O=Cu3(C11H8NS2)4(ClO4)2*2H2O

Guidance literature:

In acetone; ligand hot soln. in acetone adding to a hot soln. of the metal salt in acetone, ppt. filtering off, washing with EtOH and ether, drying in vacuo over P2O5; identified by elem. anal.;

DOI:10.1016/S0277-5387(00)81461-8

upstream raw materials:

thiophene-2-carbaldehyde

2-amino-benzenethiol

Refernces

• 1、 Cho, Yeon-Ho,Lee, Chun-Young,Cheon, Cheol-Hong. "Cyanide as a powerful catalyst for facile synthesis of benzofused heteroaromatic compounds via aerobic oxidation". . p. 6565 - 6573. Retrieved 2013/07/26.
• 2、 Singh, Kiran,Singh, R. V.,Tandon, J. P.. "Studies on the Coordination Behaviour of Benzothiazolines towards Pb(II) Ion". . p. 525 - 531. Retrieved 2007/10/02.