[2-(4-Chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methanol

Base Information

• Chemical Name: [2-(4-Chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methanol
• CAS No.: 317319-22-5
• Molecular Formula: C11H10ClNOS
• Molecular Weight: 239.72100
• Hs Code.: 2934100090
• DSSTox Substance ID: DTXSID20377100
• Wikidata: Q82166165
• Mol file: 317319-22-5.mol

Synonyms:317319-22-5;[2-(4-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methanol;(2-(4-Chlorophenyl)-4-methylthiazol-5-yl)methanol;[2-(4-Chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-methanol;SCHEMBL95917;DTXSID20377100;QUSDORIJKAETMR-UHFFFAOYSA-N;MFCD03791195;AKOS000345415;CS-0216943;EN300-6493849;2-(4-chlorophenyl)-4-methylthiazol-5-yl methanol;2W-0294;J-500519;[2-(4-chloro-phenyl)-4-methyl-thiazol-5-yl]-methanol

Chemical Property of [2-(4-Chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methanol

Chemical Property:

• PSA: 61.36000
• LogP: 3.26420
• Storage Temp.: 2-8°C
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 239.0171628
• Heavy Atom Count: 15
• Complexity: 209

Purity/Quality:

98%min ^*data from raw suppliers

[2-(4-Chlorophenyl)-4-methyl-1,3-thiazol-5-yl]-methanol >95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of [2-(4-Chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methanol

There total 5 articles about [2-(4-Chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methanol 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:

ethyl 2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate (54001-12-6) → (2-(4-chlorophenyl)-4-methylthiazol-5-yl)methanol (317319-22-5)

Guidance literature:

With lithium aluminium tetrahydride; In diethyl ether; at 0 ℃; for 1.5h;

DOI:10.1080/10426507.2012.745542

Reference yield:

4-chlorothiobenzamide (2521-24-6) → (2-(4-chlorophenyl)-4-methylthiazol-5-yl)methanol (317319-22-5)

Guidance literature:

Multi-step reaction with 2 steps

1: pyridine / ethanol / Reflux; Inert atmosphere

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

With pyridine; lithium aluminium tetrahydride; In diethyl ether; ethanol;

DOI:10.1016/j.ejmech.2015.04.027

Reference yield:

4-Cyanochlorobenzene (623-03-0) → (2-(4-chlorophenyl)-4-methylthiazol-5-yl)methanol (317319-22-5)

Guidance literature:

Multi-step reaction with 3 steps

1: tiolacetic acid; calcium hydride / neat (no solvent) / 3.25 h / 0 - 80 °C / Inert atmosphere

2: pyridine / ethanol / Reflux; Inert atmosphere

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

With pyridine; lithium aluminium tetrahydride; calcium hydride; tiolacetic acid; In diethyl ether; ethanol;

DOI:10.1016/j.ejmech.2015.04.027

upstream raw materials:

ethyl 2-(4-chlorophenyl)-4-methyl-1,3-thiazole-5-carboxylate

4-Cyanochlorobenzene

4-chlorothiobenzamide

4-chlorobenzamide

Downstream raw materials:

2-(4-chlorophenyl)-4-methylthiazole-5-carbaldehyde

1-((2-(4-chlorophenyl)-4-methylthiazol-5-yl)methylene) thiosemicarbazide

1-((2-(4-chlorophenyl)-4-methylthiazol-5-yl)methyleneamino)-2-ethylisothiourea

1-((2-(4-chlorophenyl)-4-methylthiazol-5-yl)methyleneamino)-2-propylisothiourea