2-(3-Pyridyloxy)benzothiazole

Base Information

• Chemical Name: 2-(3-Pyridyloxy)benzothiazole
• CAS No.: 37525-46-5
• Molecular Formula: C12H8N2OS
• Molecular Weight: 228.274
• Hs Code.: 2934999090
• European Community (EC) Number: 253-543-2
• DSSTox Substance ID: DTXSID70190967
• Nikkaji Number: J261.193G
• Wikidata: Q83063434
• Mol file: 37525-46-5.mol

Synonyms:2-(3-Pyridyloxy)benzothiazole;37525-46-5;EINECS 253-543-2;2-(PYRIDIN-3-YLOXY)BENZO[D]THIAZOLE;2-(3-Pyridinyloxy)benzothiazole;DTXSID70190967;AKOS008867366

Chemical Property of 2-(3-Pyridyloxy)benzothiazole

Chemical Property:

• Vapor Pressure: 1.04E-05mmHg at 25°C
• Boiling Point: 382.4°Cat760mmHg
• Flash Point: 185.1°C
• PSA: 63.25000
• Density: 1.342g/cm³
• LogP: 3.48360
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 228.03573406
• Heavy Atom Count: 16
• Complexity: 239

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)N=C(S2)OC3=CN=CC=C3

Technology Process of 2-(3-Pyridyloxy)benzothiazole

There total 2 articles about 2-(3-Pyridyloxy)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: 70.0%

benzoic acid 3-pyridyl ester (27039-14-1) + phenyl 2-benzothiazolyl ether (23019-08-1) → 2-(3-pyridinyloxy)benzothiazole (37525-46-5) + benzoic acid phenyl ester (93-99-2)

Guidance literature:

With hydridotetakis(triphenylphosphine)rhodium(I); o-phenylenebis(diphenylphosphine); In chlorobenzene; for 5h; Inert atmosphere; Reflux;

DOI:10.1055/s-0036-1588801

Reference yield:

→ 2-(3-pyridinyloxy)benzothiazole (37525-46-5)

Guidance literature:

3-Hydroxypyridin, 2-Chlorbenzthiazol mit KOH;

Reference yield: 39.0%

2-(3-pyridinyloxy)benzothiazole (37525-46-5) + benzoic acid phenyl ester (93-99-2) → benzoic acid 3-pyridyl ester (27039-14-1) + phenyl 2-benzothiazolyl ether (23019-08-1)

Guidance literature:

With hydridotetakis(triphenylphosphine)rhodium(I); In chlorobenzene; for 5h; Reflux;

DOI:10.1055/s-0036-1588801

upstream raw materials:

benzoic acid 3-pyridyl ester

phenyl 2-benzothiazolyl ether

Downstream raw materials:

4-chlorophenyl benzoate

2-(p-chlorophenoxy)benzothiazole

benzoic acid 3-pyridyl ester

phenyl 2-benzothiazolyl ether