4-Phenyl-2-(pyridin-3-yl)thiazole

Base Information

• Chemical Name: 4-Phenyl-2-(pyridin-3-yl)thiazole
• CAS No.: 70031-86-6
• Molecular Formula: C14H10N2S
• Molecular Weight: 238.313
• Hs Code.: 2934100090
• European Community (EC) Number: 676-985-1
• DSSTox Substance ID: DTXSID10351474
• Nikkaji Number: J3.044.029C
• Wikidata: Q82127915
• ChEMBL ID: CHEMBL120089
• Mol file: 70031-86-6.mol

Synonyms:4-Phenyl-2-(pyridin-3-yl)thiazole;70031-86-6;4-phenyl-2-pyridin-3-yl-1,3-thiazole;4-phenyl-2-(3-pyridyl)thiazole;MLS000765117;3-(4-PHENYL-2-THIAZOLYL)-PYRIDINE;SMR000288522;3-(4-phenyl-1,3-thiazol-2-yl)pyridine;Maybridge1_006230;Cambridge id 6597927;CHEMBL120089;cid_701015;SCHEMBL7495850;BDBM93828;DTXSID10351474;JDMNBLHGHILQCV-UHFFFAOYSA-N;HMS2707N21;4-phenyl-2-(3-pyridinyl)thiazole;VCA03186;2-(pyridin-3-yl)-4-phenylthiazole;MFCD02366452;STL477613;AKOS000563427;AS-40531;RH 01083;FT-0734937;4-Phenyl-2-(3-pyridyl)thiazole, AldrichCPR;MLS-0286876.0001;AP-048/15614106;BRD-K60950965-001-07-6

Chemical Property of 4-Phenyl-2-(pyridin-3-yl)thiazole

Chemical Property:

• Vapor Pressure: 1.86E-07mmHg at 25°C
• Melting Point: 52-56℃
• Boiling Point: 437.8°C at 760 mmHg
• Flash Point: 211.8°C
• PSA: 54.02000
• Density: 1.216g/cm³
• LogP: 3.87210
• Storage Temp.: 2-8°C
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 238.05646950
• Heavy Atom Count: 17
• Complexity: 240

Purity/Quality:

97% ^*data from raw suppliers

4-Phenyl-2-(pyridin-3-yl)thiazole 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CSC(=N2)C3=CN=CC=C3

Technology Process of 4-Phenyl-2-(pyridin-3-yl)thiazole

There total 3 articles about 4-Phenyl-2-(pyridin-3-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: 98.0%

thionicotinamide (4621-66-3) + α-bromoacetophenone (70-11-1) → 3-(4-phenyl-1,3-thiazol-2-yl)pyridine (70031-86-6)

Guidance literature:

at 20 ℃; Reagent/catalyst; Catalytic behavior;

DOI:10.1016/j.dyepig.2020.109077

Reference yield: 68.0%

thionicotinamide (4621-66-3) + iodoacetophenone (4636-16-2) → 3-(4-phenyl-1,3-thiazol-2-yl)pyridine (70031-86-6)

Guidance literature:

In dichloromethane; N,N-dimethyl-formamide; at 25 ℃; for 12h; regioselective reaction;

DOI:10.1055/s-0030-1259034

Reference yield:

styrene (100-42-5,25038-60-2,25247-68-1,28213-80-1,28325-75-9,79637-11-9,9003-53-6) → 3-(4-phenyl-1,3-thiazol-2-yl)pyridine (70031-86-6)

Guidance literature:

Multi-step reaction with 2 steps

1: iodine; 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione / dimethyl sulfoxide / 20 °C

2: dichloromethane; N,N-dimethyl-formamide / 12 h / 20 °C

With iodine; 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione; In dichloromethane; dimethyl sulfoxide; N,N-dimethyl-formamide;

DOI:10.1039/c1ob06587d

upstream raw materials:

thionicotinamide

α-bromoacetophenone

iodoacetophenone

styrene

Downstream raw materials:

3-[4-(4-nitro-phenyl)-thiazol-2-yl]-pyridine

1,3-bis-[4-(2-pyridin-3-yl-thiazol-4-yl)-phenyl]-thiourea

4-(2-pyridin-3-yl-thiazol-4-yl)-aniline

3-(4-phenylthiazol-2-yl)pyridine-N-oxide