2-[2-(2-Pyridylthio)acetyl]pyrido[2,1-b][1,3]thiazol-4-ium-3-olate

Base Information

• Chemical Name: 2-[2-(2-Pyridylthio)acetyl]pyrido[2,1-b][1,3]thiazol-4-ium-3-olate
• CAS No.: 66102-82-7
• Molecular Formula: C14H12N2O2S2
• Molecular Weight: 304.3873
• NSC Number: 339599
• DSSTox Substance ID: DTXSID70715957

Synonyms:66102-82-7;2-[2-(2-pyridylthio)acetyl]pyrido[2,1-b][1,3]thiazol-4-ium-3-olate;DTXSID70715957;NSC339599;NSC-339599;2-(2-pyridin-2-ylsulfanylacetyl)-[1,3]thiazolo[3,2-a]pyridin-3-one;(1E)-1-(3-Oxo[1,3]thiazolo[3,2-a]pyridin-4-ium-2(3H)-ylidene)-2-[(pyridin-2-yl)sulfanyl]ethan-1-olate

Chemical Property of 2-[2-(2-Pyridylthio)acetyl]pyrido[2,1-b][1,3]thiazol-4-ium-3-olate

Chemical Property:

• Vapor Pressure: 3.8E-12mmHg at 25°C
• Boiling Point: 532°Cat760mmHg
• Flash Point: 275.5°C
• Density: 1.5g/cm³
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 302.01836991
• Heavy Atom Count: 20
• Complexity: 574

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=NC(=C1)SCC(=O)C2=S=C3C=CC=CN3C2=O

Technology Process of 2-[2-(2-Pyridylthio)acetyl]pyrido[2,1-b][1,3]thiazol-4-ium-3-olate

There total 2 articles about 2-[2-(2-Pyridylthio)acetyl]pyrido[2,1-b][1,3]thiazol-4-ium-3-olate 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:

S-(2-pyridyl)thioglycolic acid (10002-29-6) → 3-oxo-2-(pyridin-2-ylsulfanyl-acetyl)-2,3-dihydro-thiazolo[3,2-a]pyridinylium betaine (66102-82-7)

Guidance literature:

In acetic anhydride; (heating);

DOI:10.1007/BF00509793

Reference yield:

→ 3-oxo-2-(pyridin-2-ylsulfanyl-acetyl)-2,3-dihydro-thiazolo[3,2-a]pyridinylium betaine (66102-82-7)

Guidance literature:

Saeure 4 (R=H), (CH3CO)2O;

DOI:10.1021/jo00407a032

Reference yield:

3-oxo-2-(pyridin-2-ylsulfanyl-acetyl)-2,3-dihydro-thiazolo[3,2-a]pyridinylium betaine (66102-82-7) → 3-oxo-2-(pyridin-2-ylsulfanyl-thioacetyl)-2,3-dihydro-thiazolo[3,2-a]pyridinylium betaine (72006-93-0)

Guidance literature:

With pyridine; tetraphosphorus decasulfide; at 100 ℃; for 0.833333h;

DOI:10.1007/BF00509793

upstream raw materials:

S-(2-pyridyl)thioglycolic acid

Downstream raw materials:

3-oxo-2-(pyridin-2-ylsulfanyl-thioacetyl)-2,3-dihydro-thiazolo[3,2-a]pyridinylium betaine

C₁₄H₉NO₂S

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