6-Fluoro-2-hydrazinylbenzo[d]thiazole

Base Information

• Chemical Name: 6-Fluoro-2-hydrazinylbenzo[d]thiazole
• CAS No.: 78364-55-3
• Molecular Formula: C7H6 F N3 S
• Molecular Weight: 183.209
• Hs Code.: 29342000
• DSSTox Substance ID: DTXSID20365941
• Nikkaji Number: J2.365.731G
• Wikidata: Q72479870
• ChEMBL ID: CHEMBL1241371
• Mol file: 78364-55-3.mol

Synonyms:78364-55-3;6-fluoro-2-hydrazinylbenzo[d]thiazole;(6-Fluoro-benzothiazol-2-yl)-hydrazine;(6-fluoro-1,3-benzothiazol-2-yl)hydrazine;6-fluoro-2-hydrazinyl-1,3-benzothiazole;1-(6-FLUOROBENZO[D]THIAZOL-2-YL)HYDRAZINE;6-Fluoro-2-hydrazino-1,3-benzothiazole;MLS000724920;SMR000237118;(6-fluoranyl-1,3-benzothiazol-2-yl)diazane;C7H6FN3S;F1908-0016;SCHEMBL2117433;CHEMBL1241371;BDBM56591;cid_2049844;DTXSID20365941;HMS2544H15;2-hydrazino-6-fluoro-benzothiazole;MFCD04448803;STK513474;(6-Fluorobenzothiazole-2-yl)hydrazine;AKOS000428240;6-Fluoro-2(3H)-benzothiazolone ydrazone;DS-12459;BB 0246102;CS-0071043;FT-0700969;C76506;EN300-214120;A839404

Chemical Property of 6-Fluoro-2-hydrazinylbenzo[d]thiazole

Chemical Property:

• Melting Point: 204 °C(Solv: ethanol (64-17-5))
• Boiling Point: 351.1±44.0 °C(Predicted)
• PKA: 2.07±0.20(Predicted)
• PSA: 79.18000
• Density: 1.63±0.1 g/cm3(Predicted)
• LogP: 2.49430
• Storage Temp.: Keep in dark place,Inert atmosphere,Store in freezer, under -20°C
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 183.02664654
• Heavy Atom Count: 12
• Complexity: 169

Purity/Quality:

98%Min ^*data from raw suppliers

1-(6-Fluorobenzo[d]thiazol-2-yl)hydrazine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C=C1F)SC(=N2)NN

Technology Process of 6-Fluoro-2-hydrazinylbenzo[d]thiazole

There total 5 articles about 6-Fluoro-2-hydrazinylbenzo[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: 97.4%

2-amino-6-fluoro-1,3-benzothiazole (348-40-3) → 1-(6-fluorobenzo[d]thiazol-2-yl)hydrazine (78364-55-3)

Guidance literature:

With hydrogenchloride; hydrazine hydrate; In ethylene glycol; Microwave irradiation;

DOI:10.1002/jhet.1618

Reference yield: 66.0%

→ 1-(6-fluorobenzo[d]thiazol-2-yl)hydrazine (78364-55-3)

Guidance literature:

Reference yield:

4-fluoroaniline (371-40-4) → 1-(6-fluorobenzo[d]thiazol-2-yl)hydrazine (78364-55-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 32 percent / Br₂; AcOH / 1 h / cooling

2: 85 percent / NH₂NH₂*H₂O; NH₂NH₂*H₂SO₄ / ethane-1,2-diol / 2 h / 120 °C

With bromine; hydrazine hydrate; acetic acid; hydrazinium sulfate; In ethylene glycol;

DOI:10.1016/j.bmcl.2007.04.079

upstream raw materials:

2-amino-6-fluoro-1,3-benzothiazole

4-fluoroaniline

2-chloro-6-fluorobenzothiazole

(4-fluoro-phenyl)-thiourea

Downstream raw materials:

2-(4'-Carbethoxymethyl-3'-methyl-5'-oxo-2'-pyrazolin-1'-yl)-6-fluorobenzothiazole

6-Fluoro-2-(3'-methyl-5'-oxo-2'-pyrazolin-1'-yl)benzothiazole

1-(6-Fluoro-benzothiazol-2-yl)-3,4-dimethyl-1H-pyrano[2,3-c]pyrazol-6-one

4-Chloro-2-(6-fluoro-benzothiazol-2-yl)-5-methyl-2H-pyrazol-3-ol

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、 Sultana, Faria,Saifi, Mohd Aslam,Syed, Riyaz,Mani, Geeta Sai,Shaik, Siddiq Pasha,Osas, Egharevba God'Shelp,Godugu, Chandraiah,Shahjahan, Syeda,Kamal, Ahmed. "Synthesis of 2-anilinopyridyl linked benzothiazole hydrazones as apoptosis inducing cytotoxic agents". . p. 7150 - 7161. Retrieved 2019/05/17.