5H-Pyrido[3,2-e]thiazolo[3,2-a]pyrimidine-5-thione

Base Information

• Chemical Name: 5H-Pyrido[3,2-e]thiazolo[3,2-a]pyrimidine-5-thione
• CAS No.: 106531-35-5
• Molecular Formula: C₉H₅N₃S₂
• Molecular Weight: 219.291
• DSSTox Substance ID: DTXSID80379246
• Nikkaji Number: J640.847H
• Wikidata: Q82168975
• Mol file: 106531-35-5.mol

Synonyms:106531-35-5;5H-Pyrido[3,2-e]thiazolo[3,2-a]pyrimidine-5-thione;5H-PYRIDO[3',2';5-thia-2,7,13-triazatricyclo[7.4.0.02,6]trideca-1(9),3,6,10,12-pentaene-8-thione;5H-Pyrido[3',2',5,6]pyrimido[2,1-B][1,3]thiazole-5-thione;HMS546D17;Maybridge1_001667;DTXSID80379246;KRQRLEBPIZVJRT-UHFFFAOYSA-N;AKOS015912133;FT-0620458;5H-Pyrido[3,2-e][1,3]thiazolo[3,2-a]pyrimidine-5-thione

Chemical Property of 5H-Pyrido[3,2-e]thiazolo[3,2-a]pyrimidine-5-thione

Chemical Property:

• Boiling Point: 424.6°Cat760mmHg
• Flash Point: 210.6°C
• Density: 1.62g/cm³
• XLogP3: 1.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 218.99248952
• Heavy Atom Count: 14
• Complexity: 337

Purity/Quality:

98%min ^*data from raw suppliers

5H-PYRIDO[3',2':5,6]PYRIMIDO[2,1-B][1,3]THIAZOLE-5-THIONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(N=C1)N3C=CSC3=NC2=S

Technology Process of 5H-Pyrido[3,2-e]thiazolo[3,2-a]pyrimidine-5-thione

There total 4 articles about 5H-Pyrido[3,2-e]thiazolo[3,2-a]pyrimidine-5-thione 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: 85.0%

5H-<1,3>Thiazolo<3,2-a>pyrido<3,2-e>pyrimidin-5-one Hydrochloride (106531-47-9) → 5H-<1,3>Thiazolo<3,2-a>pyrido<3,2-e>pyrimidin-5-thione (106531-35-5)

Guidance literature:

With diphosphorus pentasulfide; In pyridine; for 1h; Heating;

DOI:10.1002/jhet.5570230240

Reference yield:

2-Chloronicotinoyl chloride (49609-84-9) → 5H-<1,3>Thiazolo<3,2-a>pyrido<3,2-e>pyrimidin-5-thione (106531-35-5)

Guidance literature:

Multi-step reaction with 3 steps

1: pyridine / CHCl₃ / 1 h / 70 °C

2: conc. HCl / dimethylformamide / 1 h / 120 °C

3: 85 percent / phosphorus pentasulfide / pyridine / 1 h / Heating

With pyridine; hydrogenchloride; diphosphorus pentasulfide; In pyridine; chloroform; N,N-dimethyl-formamide;

DOI:10.1002/jhet.5570230240

Reference yield:

2-chloronicotinic acid (2942-59-8) → 5H-<1,3>Thiazolo<3,2-a>pyrido<3,2-e>pyrimidin-5-thione (106531-35-5)

Guidance literature:

Multi-step reaction with 4 steps

1: thionyl chloride / 1.5 h / Heating

2: pyridine / CHCl₃ / 1 h / 70 °C

3: conc. HCl / dimethylformamide / 1 h / 120 °C

4: 85 percent / phosphorus pentasulfide / pyridine / 1 h / Heating

With pyridine; hydrogenchloride; diphosphorus pentasulfide; thionyl chloride; In pyridine; chloroform; N,N-dimethyl-formamide;

DOI:10.1002/jhet.5570230240

upstream raw materials:

5H-<1,3>Thiazolo<3,2-a>pyrido<3,2-e>pyrimidin-5-one Hydrochloride

2-Chloronicotinoyl chloride

2-chloronicotinic acid

N-(1,3-Thiazol-2-yl)-2-chloropyridine-3-carboxamide