Pyrazolo(3,4-d)thiazolo(3,2-a)pyrimidin-4(1H)-one, 6-phenyl-

Base Information

• Chemical Name: Pyrazolo(3,4-d)thiazolo(3,2-a)pyrimidin-4(1H)-one, 6-phenyl-
• CAS No.: 152423-08-0
• Molecular Formula: C13H8 N4 O S
• Molecular Weight: 268.2938
• DSSTox Substance ID: DTXSID70165019
• Nikkaji Number: J551.022H
• Wikidata: Q83034139
• Mol file: 152423-08-0.mol

Synonyms:6-Phenylpyrazolo(3,4-d)thiazolo(3,2-a)pyrimidin-4(1H)-one;Pyrazolo(3,4-d)thiazolo(3,2-a)pyrimidin-4(1H)-one, 6-phenyl-;152423-08-0;C13H8N4OS;DTXSID70165019;C13-H8-N4-O-S;LS-129367;5-Phenyl-7-thia-4a,8-diazacyclopent[f]indazol-4(1H)-one

Chemical Property of Pyrazolo(3,4-d)thiazolo(3,2-a)pyrimidin-4(1H)-one, 6-phenyl-

Chemical Property:

• Vapor Pressure: 2.13E-13mmHg at 25°C
• Boiling Point: 578.9°Cat760mmHg
• Flash Point: 303.9°C
• Density: 1.63g/cm³
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 268.04188206
• Heavy Atom Count: 19
• Complexity: 469

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CSC3=NC4=C(C=NN4)C(=O)N23

Technology Process of Pyrazolo(3,4-d)thiazolo(3,2-a)pyrimidin-4(1H)-one, 6-phenyl-

There total 3 articles about Pyrazolo(3,4-d)thiazolo(3,2-a)pyrimidin-4(1H)-one, 6-phenyl- 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: 90.0%

6-phenacylthio-pyrazolo<3,4-p>pyrimidine (152422-99-6) → 6-Phenyl-1H-pyrazolo[3,4-d]thiazolo[3,2-a]pyrimidin-4-one (152423-08-0)

Guidance literature:

With sulfuric acid; for 120h; Ambient temperature;

DOI:10.1016/0223-5234(93)90123-V

Reference yield:

6-thioxo-1,5,6,7-tetrahydropyrazolo<3,4-d>pyrimidin-4-one (24521-76-4) → 6-Phenyl-1H-pyrazolo[3,4-d]thiazolo[3,2-a]pyrimidin-4-one (152423-08-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 60 percent / Na₂CO₃ / acetone / 24 h

2: 90 percent / conc. aq. sulphuric acid / 120 h / Ambient temperature

With sulfuric acid; sodium carbonate; In acetone;

DOI:10.1016/0223-5234(93)90123-V

Reference yield:

α-bromoacetophenone (70-11-1) → 6-Phenyl-1H-pyrazolo[3,4-d]thiazolo[3,2-a]pyrimidin-4-one (152423-08-0)

Guidance literature:

Multi-step reaction with 2 steps

1: 60 percent / Na₂CO₃ / acetone / 24 h

2: 90 percent / conc. aq. sulphuric acid / 120 h / Ambient temperature

With sulfuric acid; sodium carbonate; In acetone;

DOI:10.1016/0223-5234(93)90123-V

upstream raw materials:

6-phenacylthio-pyrazolo<3,4-p>pyrimidine

6-thioxo-1,5,6,7-tetrahydropyrazolo<3,4-d>pyrimidin-4-one

α-bromoacetophenone

Downstream raw materials:

6-Phenyl-1H-pyrazolo[3,4-d]thiazolo[3,2-a]pyrimidine-4-thione