9-Phenylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine

Base Information

• Chemical Name: 9-Phenylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
• CAS No.: 113246-87-0
• Molecular Formula: C₁₃H₈N₄S
• Molecular Weight: 252.299
• DSSTox Substance ID: DTXSID001212040

Synonyms:9-Phenylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine;DTXSID001212040;113246-87-0

Chemical Property of 9-Phenylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine

Chemical Property:

• XLogP3: 3.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 252.04696745
• Heavy Atom Count: 18
• Complexity: 307

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CSC3=C2C4=NC=NN4C=N3

Technology Process of 9-Phenylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine

There total 2 articles about 9-Phenylthieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine 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: 83.0%

formic acid (64-18-6) + 4-Hydrazino-5-phenylthieno<2,3-d>pyrimidine (113246-86-9) → 9-Phenyl-1,2,4-triazolo<1,5-c>thieno<3,2-e>pyrimidine (113246-87-0)

Guidance literature:

for 4h; Heating;

Reference yield: 48.0%

2-Amino-4-phenyl-3-(1H-1,2,4-triazol-3-yl)thiophene (113246-90-5) + orthoformic acid triethyl ester (122-51-0) → 9-Phenyl-1,2,4-triazolo<1,5-c>thieno<3,2-e>pyrimidine (113246-87-0)

Guidance literature:

at 50 - 60 ℃; for 0.25h;

Reference yield: 71.0%

9-Phenyl-1,2,4-triazolo<1,5-c>thieno<3,2-e>pyrimidine (113246-87-0) → 2-Amino-4-phenyl-3-(1H-1,2,4-triazol-3-yl)thiophene (113246-90-5)

Guidance literature:

With sodium hydroxide; In ethanol; for 2h; Heating;

upstream raw materials:

formic acid

4-Hydrazino-5-phenylthieno<2,3-d>pyrimidine

2-Amino-4-phenyl-3-(1H-1,2,4-triazol-3-yl)thiophene

orthoformic acid triethyl ester

Downstream raw materials:

2-Amino-4-phenyl-3-(1H-1,2,4-triazol-3-yl)thiophene

5-Chloromethyl-9-phenyl-1,2,4-triazolo<1,5-c>thieno<3,2-e>pyrimidine

5-Methyl-9-phenyl-1,2,4-triazolo<1,5-c>thieno<3,2-e>pyrimidine

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