Thiazole, 4,5-dihydro-2-(3-bromophenyl)-

Base Information

• Chemical Name: Thiazole, 4,5-dihydro-2-(3-bromophenyl)-
• CAS No.: 96159-85-2
• Molecular Formula: C9H8 Br N S
• Molecular Weight: 242.14
• Hs Code.: 2934100090
• DSSTox Substance ID: DTXSID10242151
• Wikidata: Q83125775
• Mol file: 96159-85-2.mol

Synonyms:96159-85-2;BRN 4981124;Thiazole, 4,5-dihydro-2-(3-bromophenyl)-;2-(3-BROMOPHENYL)-4,5-DIHYDROTHIAZOLE;4,5-Dihydro-2-(3-bromophenyl)thiazole;DTXSID10242151;LS-150932

Chemical Property of Thiazole, 4,5-dihydro-2-(3-bromophenyl)-

Chemical Property:

• Vapor Pressure: 0.000184mmHg at 25°C
• Boiling Point: 339.1°Cat760mmHg
• Flash Point: 158.9°C
• PSA: 37.66000
• Density: 1.59g/cm³
• LogP: 2.37810
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 240.95608
• Heavy Atom Count: 12
• Complexity: 193

Purity/Quality:

97% ^*data from raw suppliers

2-(3-BROMOPHENYL)-4,5-DIHYDROTHIAZOLE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CSC(=N1)C2=CC(=CC=C2)Br

Technology Process of Thiazole, 4,5-dihydro-2-(3-bromophenyl)-

There total 2 articles about Thiazole, 4,5-dihydro-2-(3-bromophenyl)- 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: 94.0%

3-cyanobromobenzene (6952-59-6) + 2-mercaptoethylamine hydrochloride (156-57-0) → 2-(3-bromophenyl)-4,5-dihydrothiazole (96159-85-2)

Guidance literature:

With sodium hydroxide; In neat (no solvent); at 80 ℃; for 1.5h;

DOI:10.1039/c5gc00286a

Reference yield: 84.0%

3-cyanobromobenzene (6952-59-6) + Cysteamine (60-23-1) → 2-(3-bromophenyl)-4,5-dihydrothiazole (96159-85-2)

Guidance literature:

In ethanol; for 5h; Heating;

Reference yield: 60.0%

2-(3-bromophenyl)-4,5-dihydrothiazole (96159-85-2) + methyl iodide (74-88-4) → 2-(3-Bromo-phenyl)-3-methyl-4,5-dihydro-thiazol-3-ium; iodide (96160-05-3)

Guidance literature:

In methanol; for 40h; Heating;

upstream raw materials:

3-cyanobromobenzene

Cysteamine

2-mercaptoethylamine hydrochloride

Downstream raw materials:

2-(3-Bromo-phenyl)-3-methyl-4,5-dihydro-thiazol-3-ium; iodide

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