4H-Pyrazolo(3,4-d)pyrimidin-4-one, 1,5-dihydro-5-amino-6-((4-methylphenyl)amino)-

Base Information

• Chemical Name: 4H-Pyrazolo(3,4-d)pyrimidin-4-one, 1,5-dihydro-5-amino-6-((4-methylphenyl)amino)-
• CAS No.: 141300-18-7
• Molecular Formula: C12H12 N6 O
• Molecular Weight: 256.2633
• DSSTox Substance ID: DTXSID20161662
• Nikkaji Number: J475.948F
• Wikidata: Q83030105
• Mol file: 141300-18-7.mol

Synonyms:BRN 4876451;4H-Pyrazolo(3,4-d)pyrimidin-4-one, 1,5-dihydro-5-amino-6-((4-methylphenyl)amino)-;141300-18-7;1,5-Dihydro-5-amino-6-((4-methylphenyl)amino)-4H-pyrazolo(3,4-d)pyrimidin-4-one;DTXSID20161662;LS-129291

Chemical Property of 4H-Pyrazolo(3,4-d)pyrimidin-4-one, 1,5-dihydro-5-amino-6-((4-methylphenyl)amino)-

Chemical Property:

• Vapor Pressure: 1.22E-11mmHg at 25°C
• Boiling Point: 537.9°Cat760mmHg
• Flash Point: 279.1°C
• Density: 1.57g/cm³
• XLogP3: 0.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 256.10725903
• Heavy Atom Count: 19
• Complexity: 390

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)NC2=NC3=C(C=NN3)C(=O)N2N

Technology Process of 4H-Pyrazolo(3,4-d)pyrimidin-4-one, 1,5-dihydro-5-amino-6-((4-methylphenyl)amino)-

There total 2 articles about 4H-Pyrazolo(3,4-d)pyrimidin-4-one, 1,5-dihydro-5-amino-6-((4-methylphenyl)amino)- 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: 60.0%

5-(3-p-Tolyl-thioureido)-1H-pyrazole-4-carboxylic acid ethyl ester (141300-12-1) → 5-Amino-6-p-tolylamino-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one (141300-18-7)

Guidance literature:

With hydrazine hydrate; In ethanol; for 8h; Heating;

DOI:10.1016/0223-5234(92)90064-8

Reference yield:

1-isothiocyanato-4-methylbenzene (622-59-3) → 5-Amino-6-p-tolylamino-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one (141300-18-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 50 percent / toluene / 6 h / Heating

2: 60 percent / NH₂NH₂*H₂O / ethanol / 8 h / Heating

With hydrazine hydrate; In ethanol; toluene;

DOI:10.1016/0223-5234(92)90064-8

Reference yield: 45.0%

5-Amino-6-p-tolylamino-1,5-dihydro-pyrazolo[3,4-d]pyrimidin-4-one (141300-18-7) + orthoformic acid triethyl ester (122-51-0) → 8-p-Tolyl-1,8-dihydro-pyrazolo[3,4-d][1,2,4]triazolo[1,5-a]pyrimidin-4-one (141300-28-9)

Guidance literature:

With toluene-4-sulfonic acid; for 18h; Heating;

DOI:10.1016/0223-5234(92)90064-8

upstream raw materials:

5-(3-p-Tolyl-thioureido)-1H-pyrazole-4-carboxylic acid ethyl ester

1-isothiocyanato-4-methylbenzene

Downstream raw materials:

8-p-Tolyl-1,8-dihydro-pyrazolo[3,4-d][1,2,4]triazolo[1,5-a]pyrimidin-4-one

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