2-Pyridin-4-yl-1,3-benzothiazole

Base Information

• Chemical Name: 2-Pyridin-4-yl-1,3-benzothiazole
• CAS No.: 2295-38-7
• Molecular Formula: C12H8N2S
• Molecular Weight: 212.275
• Hs Code.: 2934999090
• NSC Number: 38712
• DSSTox Substance ID: DTXSID00284727
• Nikkaji Number: J902.442E
• Wikidata: Q27209177
• ChEMBL ID: CHEMBL112610
• Mol file: 2295-38-7.mol

Synonyms:2295-38-7;2-(Pyridin-4-yl)benzo[d]thiazole;2-pyridin-4-yl-1,3-benzothiazole;benzothiazole, 2-(4-pyridinyl)-;2-(pyridin-4-yl)-1,3-benzothiazole;MLS000736984;2-(4-pyridyl)-1,3-benzothiazole;SMR000393942;2-(4-pyridyl)benzothiazole;NSC38712;2-(Pyridin-4-yl)benzothiazole;4-(Benzothiazol-2-yl)pyridine;CHEMBL112610;cid_236319;SCHEMBL4729573;BDBM93851;DTXSID00284727;CHEBI:120965;HMS2765A07;CAA29538;2-(4-pyridinyl)-1,3-benzothiazole;NSC 38712;NSC-38712;STL416562;AKOS005138205;EN300-9542908;Q27209177;Z50128895

Chemical Property of 2-Pyridin-4-yl-1,3-benzothiazole

Chemical Property:

• Vapor Pressure: 5E-06mmHg at 25°C
• Refractive Index: 1.693
• Boiling Point: 393 °C at 760 mmHg
• Flash Point: 188.4 °C
• PSA: 54.02000
• Density: 1.288 g/cm³
• LogP: 3.35830
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 212.04081944
• Heavy Atom Count: 15
• Complexity: 216

Purity/Quality:

99% ^*data from raw suppliers

2-(Pyridin-4-yl)-1,3-benzothiazole 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Pyridin-4-yl-1,3-benzothiazole

There total 5 articles about 2-Pyridin-4-yl-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: 65.0%

4-vinylpyridine (100-43-6,329041-72-7) + 1,3-Benzothiazole (95-16-9) → 2-(pyridin-4-yl)benzo[d]thiazole (2295-38-7)

Guidance literature:

With [bis(acetoxy)iodo]benzene; In water; dimethyl sulfoxide; at 110 ℃; for 14h;

DOI:10.1016/j.tetlet.2014.05.019

Reference yield:

cinchomeronic anhydride (4664-08-8) → 2-(pyridin-4-yl)benzo[d]thiazole (2295-38-7)

Guidance literature:

Multi-step reaction with 2 steps

1: benzene

2: 210 - 220 °C

In benzene;

Reference yield:

picoline (108-89-4) + nitrobenzene (98-95-3,26969-40-4) → N-phenylpyridine-4-carbothioamide (17332-41-1) + 2-(pyridin-4-yl)benzo[d]thiazole (2295-38-7)

Guidance literature:

With sulfur; In sulfolane; at 175 ℃; for 24h; Inert atmosphere; Sealed tube; Green chemistry;

DOI:10.1021/acs.joc.0c02072

upstream raw materials:

picoline

aniline

cinchomeronic anhydride

4-vinylpyridine

Downstream raw materials:

4-benzothiazol-2-yl-1-(2,6-dichloro-benzyl)-pyridinium; bromide

4-(benzo[d]thiazol-2-yl)-1-benzylpyridinium bromide

4-benzothiazol-2-yl-1-benzyl-pyridinium; chloride

4-benzothiazol-2-yl-1-phenethyl-pyridinium; bromide