3-Benzyl-4-methylthiazolium Chloride

Base Information

• Chemical Name: 3-Benzyl-4-methylthiazolium Chloride
• CAS No.: 4209-18-1
• Molecular Formula: C11H12NS.Cl
• Molecular Weight: 225.742
• Hs Code.: 2934100090
• DSSTox Substance ID: DTXSID90489269
• Mol file: 4209-18-1.mol

Synonyms:3-Benzyl-4-methylthiazolium Chloride;4209-18-1;3-Benzyl-4-methylthiazol-3-ium chloride;3-Benzyl-4-methyl-1,3-thiazol-3-ium chloride;3-benzyl-4-methyl-1,3-thiazol-3-ium;chloride;SCHEMBL3935033;DTXSID90489269;MFCD01318305;AKOS027327404;3-Benzyl-4-methylthiazol-3-iumchloride;AS-64083;B1940;CS-0182161;D88880

Chemical Property of 3-Benzyl-4-methylthiazolium Chloride

Chemical Property:

• Melting Point: 188 °C
• PSA: 32.12000
• LogP: -0.60370
• Storage Temp.: Inert atmosphere,Room Temperature
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 225.0378983
• Heavy Atom Count: 14
• Complexity: 154

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-Benzyl-4-methyl-1,3-thiazol-3-iumChloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CSC=[N+]1CC2=CC=CC=C2.[Cl-]

Technology Process of 3-Benzyl-4-methylthiazolium Chloride

There total 9 articles about 3-Benzyl-4-methylthiazolium Chloride 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: 91.0%

4-Methylthiazole (693-95-8) + benzyl chloride (100-44-7) → 3-(1-phenylmethyl)-4-methylthiazol-3-ium chloride (4209-18-1)

Guidance literature:

for 8h; Reflux;

DOI:10.1007/s13738-013-0387-1

Reference yield:

3-benzyl-2-(α-hydroxybenzyl)-4-methylthiazolium chloride (124980-58-1) → 3-(1-phenylmethyl)-4-methylthiazol-3-ium chloride (4209-18-1) + benzaldehyde (100-52-7)

Guidance literature:

With potassium hydroxide; In methanol; at 24 ℃; Rate constant; var. concentration of alkali; other solvents;

Reference yield:

methanol (67-56-1) + 3-benzyl-2-(α-hydroxybenzyl)-4-methylthiazolium chloride (124980-58-1) → 3-(1-phenylmethyl)-4-methylthiazol-3-ium chloride (4209-18-1) + benzaldehyde (100-52-7)

Guidance literature:

With potassium hydroxide; Mechanism;

upstream raw materials:

N-benzylformamide

chloroacetone

N-benzylthioformamide

methanol

Downstream raw materials:

4-benzyl-5-methyl-2-(p-tolyl)-2,3-dihydro-4H-1,4-thiazin-3-one

3-benzyl-4-methyl-3H-thiazol-2-one

3-benzyl-4-methylthiazole-2(3H)-thione

3-benzyl-2-(α-hydroxybenzyl)-4-methylthiazolium chloride