4,5-Dimethyl-2-phenylthiazole

Base Information

• Chemical Name: 4,5-Dimethyl-2-phenylthiazole
• CAS No.: 1826-24-0
• Molecular Formula: C11H11NS
• Molecular Weight: 189.281
• DSSTox Substance ID: DTXSID501307636
• Nikkaji Number: J1.657.904A
• Mol file: 1826-24-0.mol

Synonyms:4,5-dimethyl-2-phenylthiazole;1826-24-0;4,5-dimethyl-2-phenyl-1,3-thiazole;Thiazole, 4,5-dimethyl-2-phenyl-;SCHEMBL427731;4,5-Dimethyl-2-phenyl-thiazole;DTXSID501307636;MFCD00272329;FT-0750941

Chemical Property of 4,5-Dimethyl-2-phenylthiazole

Chemical Property:

• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 189.06122053
• Heavy Atom Count: 13
• Complexity: 166

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 4,5-Dimethyl-2-phenylthiazole

There total 10 articles about 4,5-Dimethyl-2-phenylthiazole 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: 100.0%

4,5-Dimethylthiazole (3581-91-7) + bromobenzene (108-86-1,52753-63-6) → 4,5-dimethyl-2-phenyl-1,3-thiazole (1826-24-0)

Guidance literature:

With dichloro[1-(β-methallyl)-3-(2,3,5,6-tetramethyl)benzylbenzimidazole-2-ylidene]pyridine palladium(II); potassium acetate; In N,N-dimethyl acetamide; at 150 ℃; for 1h; Reagent/catalyst; Inert atmosphere; Schlenk technique;

DOI:10.1016/j.jorganchem.2019.121076

Reference yield: 91.0%

4,5-Dimethylthiazole (3581-91-7) + phenyl N,N-dimethylcarbamate (6969-90-0) → 4,5-dimethyl-2-phenyl-1,3-thiazole (1826-24-0)

Guidance literature:

With potassium phosphate; bis(1,5-dicyclooctadiene)nickel; 1,2-bis-(dicyclohexylphosphino)ethane; In tert-Amyl alcohol; at 110 ℃; for 36h;

DOI:10.1039/c5sc02942b

Reference yield: 87.0%

4,5-Dimethylthiazole (3581-91-7) + benzaldehyde (100-52-7) → 4,5-dimethyl-2-phenyl-1,3-thiazole (1826-24-0)

Guidance literature:

With di-tert-butyl peroxide; In 1-methyl-pyrrolidin-2-one; at 100 ℃; for 3h;

DOI:10.1039/c6ra24716d

upstream raw materials:

3-chloro-2-butanone

benzenecarbothioamide

(+/-)-2-benzamido-3-butanone

benzamide

Downstream raw materials:

4-(4,5-dimethyl-thiazol-2-yl)-aniline

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

4,5-dimethyl-2-(4-nitro-phenyl)-thiazole

Refernces

• 1、 ?zdemir, ?smail,Ulu, ?znur Do?an. "Direct arylation of heteroaromatic compounds by Pd(OAc)2/tetrakis(Nbenzimidazoliummethyl)benzene salt system". . p. 286 - 295. Retrieved 2021/08/19.
• 2、 Yilmaz, Veysel T.,Icsel, Ceyda,Turgut, Omer R.,Aygun, Muhittin,Evren, Enes,Ozdemir, Ismail. "Synthesis, structures and catalytic activity of Pd(II) saccharinate complexes with monophosphines in direct arylation of five-membered heteroarenes with aryl bromides". . . Retrieved 2019/11/11.