2-Hydrazono-6-(trifluoromethoxy)-2,3-dihydrobenzo[d]thiazole

Base Information

• Chemical Name: 2-Hydrazono-6-(trifluoromethoxy)-2,3-dihydrobenzo[d]thiazole
• CAS No.: 133840-98-9
• Molecular Formula: C8H6F3N3OS
• Molecular Weight: 249.216
• Hs Code.: 2934200090
• DSSTox Substance ID: DTXSID90439668
• Wikidata: Q82255691
• Mol file: 133840-98-9.mol

Synonyms:133840-98-9;2-Hydrazono-6-(trifluoromethoxy)-2,3-dihydrobenzo[d]thiazole;2-hydrazino-6-(trifluoromethoxy)-1,3-benzothiazole;[6-(trifluoromethoxy)-1,3-benzothiazol-2-yl]hydrazine;2-hydrazino-6-trifluoromethoxybenzothiazole;(6-Trifluoromethoxy-benzothiazol-2-yl)-hydrazine;2-hydrazinyl-6-(trifluoromethoxy)-1,3-benzothiazole;SCHEMBL2116986;DTXSID90439668;AKOS015957326;6-Trifluoromethoxy-2(3H)-benzothiazolone;2-hydrazino-6-trifluoromethoxy-benzothiazole;FT-0689516;EN300-237242;A906402;F2158-0803

Chemical Property of 2-Hydrazono-6-(trifluoromethoxy)-2,3-dihydrobenzo[d]thiazole

Chemical Property:

• Boiling Point: 315.915 °C at 760 mmHg
• Flash Point: 144.861 °C
• PSA: 91.64000
• Density: 1.626 g/cm³
• LogP: 2.60270
• Storage Temp.: 2-8°C
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 2
• Exact Mass: 249.01836748
• Heavy Atom Count: 16
• Complexity: 253

Purity/Quality:

NLT 98% ^*data from raw suppliers

2-Hydrazino-6-(trifluoromethoxy)-1,3-benzothiazole 95%+ ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1OC(F)(F)F)SC(=N2)NN

Technology Process of 2-Hydrazono-6-(trifluoromethoxy)-2,3-dihydrobenzo[d]thiazole

There total 3 articles about 2-Hydrazono-6-(trifluoromethoxy)-2,3-dihydrobenzo[d]thiazole 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: 90.0%

Riluzole (1744-22-5) → 2-hydrazinyl-6-(trifluoromethoxy)benzo[d]thiazole (133840-98-9)

Guidance literature:

With hydrazine dihydrochloride; hydrazine hydrate; In ethylene glycol; at 140 ℃; for 2h;

DOI:10.1080/00397919208021542

Reference yield:

hydrazine dihydrochloride (14011-37-1,5341-61-7) + Riluzole (1744-22-5) → 2-hydrazinyl-6-(trifluoromethoxy)benzo[d]thiazole (133840-98-9)

Guidance literature:

With hydrazine hydrate; In ethylene glycol;

Reference yield:

4-(trifluoromethoxy)aniline (461-82-5) → 2-hydrazinyl-6-(trifluoromethoxy)benzo[d]thiazole (133840-98-9)

Guidance literature:

Multi-step reaction with 2 steps

1: Br₂, AcOH / 21 h / Ambient temperature

2: NH₂NH₂

With bromine; acetic acid; hydrazine;

DOI:10.1021/jm980202u

upstream raw materials:

Riluzole

4-(trifluoromethoxy)aniline

hydrazine dihydrochloride

Downstream raw materials:

Riluzole

2-methylamino-6-trifluoromethoxy-benzothiazole

SKA-5

2-chloro-6-(trifluoromethoxy)benzothiazole

Refernces

• 1、 Chen, Ge,Niu, Chunyi,Yi, Jianhua,Sun, Lin,Cao, Hengyi,Fang, Yanjia,Jin, Taijie,Li, Ying,Lou, Chunli,Kang, Jingwu,Wei, Wanguo,Zhu, Jidong. "Novel Triapine Derivative Induces Copper-Dependent Cell Death in Hematopoietic Cancers". . . Retrieved 2019/04/01.
• 2、 -. "Propargyl-trifluoromethoxy-amino-benzothiazole derivatives". Page 12. . Retrieved 2008/06/13.