2h-[1,3]Thiazino[3,2-a]benzimidazole

Base Information

• Chemical Name: 2h-[1,3]Thiazino[3,2-a]benzimidazole
• CAS No.: 245-58-9
• Molecular Formula: C₁₀H₈N₂S
• Molecular Weight: 188.253
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID80497752
• Wikidata: Q82347487
• Mol file: 245-58-9.mol

Synonyms:2h-[1,3]thiazino[3,2-a]benzimidazole;245-58-9;DTXSID80497752;1,3-thiazino[2,3-b]benzimidazole

Chemical Property of 2h-[1,3]Thiazino[3,2-a]benzimidazole

Chemical Property:

• Melting Point: 129-131 °C
• Boiling Point: 393.1±35.0 °C(Predicted)
• PKA: 4.22±0.20(Predicted)
• PSA: 43.12000
• Density: 1.36±0.1 g/cm3(Predicted)
• LogP: 2.61270
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 188.04081944
• Heavy Atom Count: 13
• Complexity: 229

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1C=CN2C3=CC=CC=C3N=C2S1

Technology Process of 2h-[1,3]Thiazino[3,2-a]benzimidazole

There total 11 articles about 2h-[1,3]Thiazino[3,2-a]benzimidazole 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: 94.0%

2-(2,3-dibromopropylthio)benzimidazole hydrobromide → 2H-1,3-thiazino<3,2-a>benzimidazole (245-58-9) + 4H-benzimidazo[2,1-b][1,3]thiazine (245-57-8) + 2-bromo-2,3-dihydro-1H-<1,3>-thiazino<3,2-a>benzimidazole (167708-19-2)

Guidance literature:

With sodium hydrogencarbonate; In water; acetonitrile; at 20 ℃; for 168h;

Reference yield: 76.0%

2-(allylthio)-1H-benzimidazole (51389-04-9) → 2H-1,3-thiazino<3,2-a>benzimidazole (245-58-9) + 4H-benzimidazo[2,1-b][1,3]thiazine (245-57-8) + 2-bromo-2,3-dihydro-1H-<1,3>-thiazino<3,2-a>benzimidazole (167708-19-2)

Guidance literature:

With bromine; sodium acetate; In N,N-dimethyl-formamide; at 80 ℃; for 5h;

DOI:10.1007/BF01373558

Reference yield:

2-(allylthio)-1H-benzimidazole (51389-04-9) → 2H-1,3-thiazino<3,2-a>benzimidazole (245-58-9) + 4H-benzimidazo[2,1-b][1,3]thiazine (245-57-8)

Guidance literature:

With bromine; sodium acetate; In N,N-dimethyl-formamide; at 80 ℃; for 5h; Title compound not separated from byproducts;

DOI:10.1007/BF01373558

upstream raw materials:

1-(prop-2-yn-1-yl)-1,3-dihydro-2H-benzimidazole-2-thione

2-(allylthio)-1H-benzimidazole

2-bromo-2,3-dihydro-1H-<1,3>-thiazino<3,2-a>benzimidazole

2-(2,3-dibromopropylthio)benzimidazole

Refernces

• 1、 Korotkikh, N. I.,Raenko, G. F.,Shvaika, O. P.. "Heterocyclization of 2-Allylthiobenzimidazoles into Derivatives of Benzimidazo-1,3-Thiazines". . p. 359 - 363. Retrieved 2007/10/03.
• 2、 Sawlewicz,Grzybowski. "Studies on benzimidazole derivatives. VII. Reactions of benzimidazole-2-thione and its derivatives with epichlorhydrin". . p. 7 - 16. Retrieved 2007/10/05.