3-METHYL-2(3H)-BENZOTHIAZOLONE

Base Information

• Chemical Name: 3-METHYL-2(3H)-BENZOTHIAZOLONE
• CAS No.: 2786-62-1
• Molecular Formula: C8H7 N O S
• Molecular Weight: 165.216
• Hs Code.: 2934200090
• Mol file: 2786-62-1.mol

Synonyms:2-Benzothiazolinone,3-methyl- (6CI,7CI,8CI); 3-Methyl-2(3H)-benzothiazolone;3-Methyl-2-benzothiazolone; 3-Methylbenzothiazolin-2-one; NSC 81225

Chemical Property of 3-METHYL-2(3H)-BENZOTHIAZOLONE

Chemical Property:

• Melting Point: 74-77 °C(lit.)
• Boiling Point: 294.3°Cat760mmHg
• Flash Point: 131.8°C
• PSA: 50.24000
• Density: 1.315g/cm³
• LogP: 1.60000

Purity/Quality:

97% ^*data from raw suppliers

3-Methyl-2(3H)-benzothiazolone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 3-Methyl-2(3H)-benzothiazolone may be used for the synthesis of 2,3-dihydro-3-methyl-2- oxobenzo[d]oxazole-6-carbaldehyde and the 2,3-dihydro-3-methyl-2-oxobenzo[d]thiazole-6-carbaldehyde. It may be used for the synthesis of imidazole derivatives having 2(3H)-benzothiazolone moiety, which are potential antifungal agents.

Technology Process of 3-METHYL-2(3H)-BENZOTHIAZOLONE

There total 23 articles about 3-METHYL-2(3H)-BENZOTHIAZOLONE 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%

(N,N'-dimethyl-N,N'-diphenylcarbamoyl)sulfenamide (87463-10-3) → 3-methyl-(3H)benzothiazolone (2786-62-1) + N-methylaniline hydrochloride (2739-12-0)

Guidance literature:

With hydrogenchloride; In chloroform-d1; at 25 ℃; for 2h;

DOI:10.1021/jo201329n

Reference yield: 89.0%

3-methylbenzothiazolium iodide (2786-31-4) → 3-methyl-(3H)benzothiazolone (2786-62-1) + bis<2-(N-formyl-N-methylamino)phenyl> disulfide (51369-77-8)

Guidance literature:

With tetraethylammonium perchlorate; In acetonitrile; for 2h; Ambient temperature; in 0,1 M (C₂H₅)4NClO₄;

DOI:10.1016/S0040-4020(01)80403-8

Reference yield: 40.0%

3-methylbenzothiazolium iodide (2786-31-4) → spiro-2,2'-<2',3'-dihydro-4'-methyl-3'-oxo-4'H-benzo-1',4'-thiazine> (24024-50-8) + 3-methyl-(3H)benzothiazolone (2786-62-1) + 3,3’-dimethyl-3H,3’H-2,2’-spirobi[1,3]benzothiazole (17823-21-1) + 11,14-dimethyldibenzo<1,2,5,8>dithiadiazecine-12,13(11H,14H)-dione (51479-83-5)

Guidance literature:

3-methylbenzothiazolium iodide; With triethylamine; In acetonitrile; at 0 - 20 ℃; for 24h;

With oxygen;

DOI:10.1002/chir.22492

upstream raw materials:

3-methylbenzothiazolium iodide

3-methyl-2-methylthiobenzothiazolium methylsulfate

2-hydrazono-3-methyl-2,3-dihydrobenzo[d]thiazole hydrochloride

N-(trimethylsilyl)phenyl(methyl)amine

Downstream raw materials:

2-(methylamino)benzenethiol

N-methyl-2-(10-methyl-10H-benzo[b]pyridazino[3,4-e][1,4]thiazin-4-ylsulfanyl)-aniline

2-ethoxy-1,3-benzothiazole

3-methylbenzothiazole-2-thione