5-Bromo-2-methyl-4-phenyl-1,3-thiazole

Base Information

• Chemical Name: 5-Bromo-2-methyl-4-phenyl-1,3-thiazole
• CAS No.: 78502-81-5
• Molecular Formula: C10H8BrNS
• Molecular Weight: 254.15
• Hs Code.: 2934100090
• DSSTox Substance ID: DTXSID20394216
• Wikidata: Q82193481
• Mol file: 78502-81-5.mol

Synonyms:5-bromo-2-methyl-4-phenyl-1,3-thiazole;78502-81-5;5-Bromo-2-methyl-4-phenylthiazole;SCHEMBL17592709;DTXSID20394216;MFCD02102880;AKOS016010862;PS-7432;CS-0152842;FT-0713060;C76512;SR-01000530865;J-516970;SR-01000530865-1

Chemical Property of 5-Bromo-2-methyl-4-phenyl-1,3-thiazole

Chemical Property:

• Vapor Pressure: 0.0003mmHg at 25°C
• Melting Point: 68-71 °C
• Refractive Index: 1.622
• Boiling Point: 331.5 °C at 760 mmHg
• Flash Point: 154.3 °C
• PSA: 41.13000
• Density: 1.496 g/cm³
• LogP: 3.88100
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 252.95608
• Heavy Atom Count: 13
• Complexity: 170

Purity/Quality:

98%min ^*data from raw suppliers

5-Bromo-2-methyl-4-phenyl-1,3-thiazole 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=NC(=C(S1)Br)C2=CC=CC=C2

Technology Process of 5-Bromo-2-methyl-4-phenyl-1,3-thiazole

There total 2 articles about 5-Bromo-2-methyl-4-phenyl-1,3-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: 53.0%

2-methyl-4-phenylthiazole (1826-16-0) → 2-(bromomethyl)-4-phenylthiazole (78502-79-1) + 5-bromo-2-methyl-4-phenylthiazole (78502-81-5) + 2-Dibrommethyl-4-phenylthiazol (78502-80-4)

Guidance literature:

With N-Bromosuccinimide; In tetrachloromethane; for 10h; Product distribution; Heating;

Reference yield: 2.3%

2-methyl-4-phenylthiazole (1826-16-0) → 5-bromo-2-methyl-4-phenylthiazole (78502-81-5) + 5-Brom-2-brommethyl-4-phenylthiazol (78502-82-6)

Guidance literature:

With N-Bromosuccinimide; 2,2'-azobis(isobutyronitrile); dibenzoyl peroxide; In tetrachloromethane; Heating;

Reference yield:

trans-ethyl 2-(4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenethyl)cyclopropanecarboxylate + 5-bromo-2-methyl-4-phenylthiazole (78502-81-5) → trans-ethyl 2-(4-(2-methyl-4-phenylthiazol-5-yl)phenethyl)cyclopropanecarboxylate

Guidance literature:

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium carbonate; In tetrahydrofuran; water; at 130 ℃; for 0.333333h; Microwave irradiation; Inert atmosphere;

upstream raw materials:

2-methyl-4-phenylthiazole

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