Oxazolo[5,4-b]pyridine-2(1H)-thione

Base Information

• Chemical Name: Oxazolo[5,4-b]pyridine-2(1H)-thione
• CAS No.: 169205-99-6
• Molecular Formula: C6H4N2OS
• Molecular Weight: 152.17400
• Hs Code.: 2934999090
• DSSTox Substance ID: DTXSID10434059
• Wikidata: Q82248371
• Mol file: 169205-99-6.mol

Synonyms:Oxazolo[5,4-b]pyridine-2(1H)-thione;169205-99-6;oxazolo[5,4-b]pyridine-2-thiol;1H-[1,3]OXAZOLO[5,4-B]PYRIDINE-2-THIONE;[1,3]Oxazolo[5,4-b]pyridine-2-thiol;1,3-oxazolopyridine-2-thiol;SCHEMBL845891;DTXSID10434059;WKMUUISSZDCMKG-UHFFFAOYSA-N;AC7981;MFCD12755948;MFCD21908350;AKOS015960046;2,3-dihydro-oxazolo pyridine-2-thione;AB65959;BP-11921;LS-05976;SY130024;A882110

Chemical Property of Oxazolo[5,4-b]pyridine-2(1H)-thione

Chemical Property:

• Melting Point: >290 °C
• Boiling Point: 284.1±32.0 °C(Predicted)
• PKA: 9.95±0.20(Predicted)
• PSA: 77.72000
• Density: 1.53±0.1 g/cm3(Predicted)
• LogP: 1.51150
• XLogP3: 1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 152.00443393
• Heavy Atom Count: 10
• Complexity: 162

Purity/Quality:

98%min ^*data from raw suppliers

Oxazolo[5,4-b]pyridine-2-thiol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(N=C1)OC(=S)N2

Technology Process of Oxazolo[5,4-b]pyridine-2(1H)-thione

There total 5 articles about Oxazolo[5,4-b]pyridine-2(1H)-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: 84.0%

2-hydroxy-3-aminopyridine (33630-99-8) + 1,1'-Thiocarbonyldiimidazole (6160-65-2) → 2-Mercaptooxazolo<5,4-b>pyridine (169205-99-6)

Guidance literature:

In tetrahydrofuran; at 20 ℃;

Reference yield: 84.0%

2-hydroxy-3-aminopyridine (33630-99-8) + thiophosgene (463-71-8) → oxazolo[5,4-b]pyridine-2(1H)-thione (169205-99-6)

Guidance literature:

In tetrahydrofuran; for 1h;

Reference yield: 69.0%

2-hydroxy-3-aminopyridine (33630-99-8) + thiophosgene (463-71-8) → 2-Mercaptooxazolo<5,4-b>pyridine (169205-99-6)

Guidance literature:

In tetrahydrofuran; at 20 ℃; for 25h;

upstream raw materials:

2-hydroxy-3-aminopyridine

thiophosgene

2-hydroxy-3-nitropyridine

1,1'-Thiocarbonyldiimidazole

Downstream raw materials:

N-(2,6-diisopropylphenyl)-6-(oxazolo[5,4-b]pyridin-2-ylthio)hexanamide

2-chloro-[1,3]oxazolo[5,4-b]pyridine

Refernces

• 1、 -. "SUBSTITUTED 2-AZABICYCLO[3.1.1]HEPTANE AND 2-AZABICYCLO[3.2.1]OCTANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS". Page/Page column 131-132. . Retrieved 2019/03/17.
• 2、 -. "Benzothiazole, thiazolopyridine, benzooxazole and oxazolopyridine derivatives". Page/Page column 81. . Retrieved 2010/11/23.