5-(Bromomethyl)-4-methyl-2-phenyl-1,3-thiazole

Base Information

• Chemical Name: 5-(Bromomethyl)-4-methyl-2-phenyl-1,3-thiazole
• CAS No.: 181424-15-7
• Molecular Formula: C₁₁H₁₀BrNS
• Molecular Weight: 268.177
• Hs Code.: 2934100090
• European Community (EC) Number: 692-290-6
• DSSTox Substance ID: DTXSID90383713
• Wikidata: Q82175501
• Mol file: 181424-15-7.mol

Synonyms:181424-15-7;5-(bromomethyl)-4-methyl-2-phenyl-1,3-thiazole;5-(Bromomethyl)-4-methyl-2-phenylthiazole;5-Bromomethyl-4-methyl-2-phenyl-thiazole;SCHEMBL379217;DTXSID90383713;MFCD04974048;AKOS015836003;5-Bromomethyl-4-methyl-2-phenylthiazole;CS-10950;FT-0682746;C80080;W-206296;5-(bromomethyl)-4-methyl-2-phenyl-1,3-thiazole, AldrichCPR

Chemical Property of 5-(Bromomethyl)-4-methyl-2-phenyl-1,3-thiazole

Chemical Property:

• Vapor Pressure: 1.63E-05mmHg at 25°C
• Melting Point: 87 °C
• Refractive Index: 1.625
• Boiling Point: 375.9°Cat760mmHg
• PKA: 2.44±0.10(Predicted)
• Flash Point: 181.1°C
• PSA: 41.13000
• Density: 1.463g/cm³
• LogP: 4.01340
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 266.97173
• Heavy Atom Count: 14
• Complexity: 182

Purity/Quality:

98%min ^*data from raw suppliers

5-(Bromomethyl)-4-methyl-2-phenylthiazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(SC(=N1)C2=CC=CC=C2)CBr

Technology Process of 5-(Bromomethyl)-4-methyl-2-phenyl-1,3-thiazole

There total 5 articles about 5-(Bromomethyl)-4-methyl-2-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:

(4-methyl-2-phenyl-1,3-thiazol-5-yl) methanol (61291-91-6) → 5-(bromomethyl)-4-methyl-2-[4-phenyl]-1,3-thiazole (181424-15-7)

Guidance literature:

With phosphorus tribromide; In dichloromethane; at 20 ℃; Inert atmosphere;

DOI:10.1016/j.ejmech.2015.04.027

Reference yield:

benzenecarbothioamide (2227-79-4) → 5-(bromomethyl)-4-methyl-2-[4-phenyl]-1,3-thiazole (181424-15-7)

Guidance literature:

Multi-step reaction with 3 steps

1: pyridine / ethanol / Reflux; Inert atmosphere

2: lithium aluminium tetrahydride / diethyl ether / 0 - 20 °C / Inert atmosphere

3: phosphorus tribromide / dichloromethane / 20 °C / Inert atmosphere

With pyridine; lithium aluminium tetrahydride; phosphorus tribromide; In diethyl ether; ethanol; dichloromethane;

DOI:10.1016/j.ejmech.2015.04.027

Reference yield:

(4-Methyl-2-phenyl-5-thiazolyl)essigsaeure-ethylester (111559-41-2) → 5-(bromomethyl)-4-methyl-2-[4-phenyl]-1,3-thiazole (181424-15-7)

Guidance literature:

Multi-step reaction with 2 steps

1: lithium aluminium tetrahydride / diethyl ether / 0 - 20 °C / Inert atmosphere

2: phosphorus tribromide / dichloromethane / 20 °C / Inert atmosphere

With lithium aluminium tetrahydride; phosphorus tribromide; In diethyl ether; dichloromethane;

DOI:10.1016/j.ejmech.2015.04.027

upstream raw materials:

(4-Methyl-2-phenyl-5-thiazolyl)essigsaeure-ethylester

(4-methyl-2-phenyl-1,3-thiazol-5-yl) methanol

benzenecarbothioamide

4-methyl-2-phenylthiazole-5-carbaldehyde

Downstream raw materials:

C₁₁H₁₂N₂S

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