6-(TRIFLUOROMETHYL)-2(3H)-BENZOTHIAZOLONE

Base Information

• Chemical Name: 6-(TRIFLUOROMETHYL)-2(3H)-BENZOTHIAZOLONE
• CAS No.: 898748-27-1
• Molecular Formula: C₈H₄F₃NOS
• Molecular Weight: 219.187
• Hs Code.: 29342000
• Mol file: 898748-27-1.mol

Synonyms:6-(TRIFLUOROMETHYL)-2(3H)-BENZOTHIAZOLONE

Chemical Property of 6-(TRIFLUOROMETHYL)-2(3H)-BENZOTHIAZOLONE

Chemical Property:

• PKA: 9.76±0.20(Predicted)
• PSA: 61.10000
• Density: 1.521±0.06 g/cm3(Predicted)
• LogP: 2.60840
• Storage Temp.: Sealed in dry,Room Temperature

Purity/Quality:

99%min ^*data from raw suppliers

6-(Trifluoromethyl)benzo[d]thiazol-2(3H)-one 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 6-(TRIFLUOROMETHYL)-2(3H)-BENZOTHIAZOLONE

There total 3 articles about 6-(TRIFLUOROMETHYL)-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: 76.0%

→ 6-trifluoromethylbenzothiazol-2-one (898748-27-1)

Guidance literature:

With sodium hydrogen sulfide; In N,N-dimethyl-formamide; at 25 ℃; for 1.5h; under 3750.38 Torr; Autoclave;

Reference yield: 73.0%

N,N-dimethyl-formamide (68-12-2,33513-42-7) + 2-iodo-4-(trifluoromethyl)aniline (163444-17-5) → 6-trifluoromethylbenzothiazol-2-one (898748-27-1)

Guidance literature:

With potassium sulfide; copper(ll) bromide; at 120 ℃; for 15h;

DOI:10.1039/c3ra46803h

Reference yield: 66.0%

ethoxy-N-[2-iodo-4-(trifluoromethyl)phenyl]carboxamide (1217302-63-0) → 6-trifluoromethylbenzothiazol-2-one (898748-27-1)

Guidance literature:

ethoxy-N-[2-iodo-4-(trifluoromethyl)phenyl]carboxamide; With copper(l) iodide; sodiumsulfide nonahydrate; In N,N-dimethyl-formamide; at 80 ℃; Inert atmosphere;

With acetic acid; In N,N-dimethyl-formamide; at 130 ℃; for 36h; Inert atmosphere;

DOI:10.1016/j.tetlet.2012.03.006

upstream raw materials:

ethoxy-N-[2-iodo-4-(trifluoromethyl)phenyl]carboxamide

N,N-dimethyl-formamide

2-iodo-4-(trifluoromethyl)aniline

Refernces

• 1、 -. "Method for synthesizing benzothiazolone-based and 1,3-disubstituted urea-based derivatives through activation of CO2". Paragraph 0042; 0043; 0044; 0045; 0046; 0052; 0053. . Retrieved 2018/09/12.
• 2、 Li, Jiaojiao,Zhang, Yihua,Jiang, Yongwen,Ma, Dawei. "CuI-catalyzed one-pot synthesis of benzothiazolones from 2-iodoanilines-derived carbamates and sodium sulfide". supporting information; experimental part. p. 2511 - 2513. Retrieved 2012/06/16.