2-METHYL-6-PHENYLBENZOTHIAZOLE

Base Information

• Chemical Name: 2-METHYL-6-PHENYLBENZOTHIAZOLE
• CAS No.: 107559-02-4
• Molecular Formula: C14H11NS
• Molecular Weight: 225.314
• Hs Code.: 29342080
• Mol file: 107559-02-4.mol

Synonyms:2-Methyl-6-phenylbenzothiazole;NSC142179;

Chemical Property of 2-METHYL-6-PHENYLBENZOTHIAZOLE

Chemical Property:

• Appearance/Colour: pale yellow brown powder
• Vapor Pressure: 1.29E-05mmHg at 25°C
• Melting Point: 90-95 °C
• Refractive Index: 1.667
• Boiling Point: 379.3 °C at 760 mmHg
• Flash Point: 187 °C
• PSA: 41.13000
• Density: 1.199 g/cm³
• LogP: 4.27170
• Storage Temp.: 2-8°C

Purity/Quality:

99% ^*data from raw suppliers

2-Methyl-6-phenylbenzo[d]thiazole 95+% ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2-METHYL-6-PHENYLBENZOTHIAZOLE

There total 9 articles about 2-METHYL-6-PHENYLBENZOTHIAZOLE 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%

2-methyl-benzothiazol-6-yl mesylate (1092513-19-3) + phenylboronic acid (98-80-6) → 2-methyl-6-phenylbenzothiazole (107559-02-4)

Guidance literature:

With potassium phosphate; C₅₈H₇₂N₂O₄P₂Pd₂; In tert-butyl alcohol; at 110 ℃; for 3h; Inert atmosphere;

DOI:10.1002/anie.200803193

Reference yield: 90.0%

6-bromo-2-methylbenzothiazole (5304-21-2) + trimethyl(phenyl)stannane (934-56-5) → 2-methyl-6-phenylbenzothiazole (107559-02-4)

Guidance literature:

With air; potassium carbonate; palladium dichloride; In water; at 100 ℃; for 2h;

Reference yield: 73.0%

6-bromo-2-methylbenzothiazole (5304-21-2) + phenylzinc chloride (28557-00-8) → 2-methyl-6-phenylbenzothiazole (107559-02-4)

Guidance literature:

With (1,1'-bis(diphenylphosphino)ferrocene)palladium(II) dichloride; In tetrahydrofuran; at 20 ℃; for 0.5h;

DOI:10.1007/BF00699022

upstream raw materials:

6-bromo-2-methylbenzothiazole

phenylzinc chloride

trimethyl(phenyl)stannane

phenylmagnesium bromide

Downstream raw materials:

2-(bromomethyl)-6-phenylbenzothiazole

3-ethyl-2-methyl-6-phenyl-benzothiazolium; etho-(toluene-4-sulfonate)

Refernces

• 1、 Wong, Shun Man,Choy, Pui Ying,Yuen, On Ying,So, Chau Ming,Kwong, Fuk Yee. "Palladium-catalyzed buchwald-hartwig amination and Suzuki-Miyaura cross-coupling reaction of aryl mesylates". . p. 195 - 212. Retrieved 2016/07/09.
• 2、 So, Chau Ming,Lau, Chak Po,Kwong, Fuk Yee. "A general palladium-catalyzed Suzuki-Miyaura coupling of aryl mesylates". supporting information; experimental part. p. 8059 - 8063. Retrieved 2009/04/13.