1,3-Dimethyl-1h-pyrazolo[3,4-d]pyrimidine

Base Information

• Chemical Name: 1,3-Dimethyl-1h-pyrazolo[3,4-d]pyrimidine
• CAS No.: 87412-92-8
• Molecular Formula: C7H8N4
• Molecular Weight: 148.1652
• Hs Code.: 2933990090
• NSC Number: 99729
• DSSTox Substance ID: DTXSID30295109
• Wikidata: Q82034825
• Mol file: 87412-92-8.mol

Synonyms:1,3-dimethyl-1h-pyrazolo[3,4-d]pyrimidine;87412-92-8;NSC99729;SCHEMBL10151404;DTXSID30295109;NSC-99729

Chemical Property of 1,3-Dimethyl-1h-pyrazolo[3,4-d]pyrimidine

Chemical Property:

• Vapor Pressure: 0.0099mmHg at 25°C
• Boiling Point: 272.9°Cat760mmHg
• Flash Point: 118.8°C
• PSA: 43.60000
• Density: 1.33g/cm³
• LogP: 0.67170
• XLogP3: 0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 148.074896272
• Heavy Atom Count: 11
• Complexity: 149

Purity/Quality:

1,3-Dimethyl-1H-pyrazolo[3,4-d]pyrimidine 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=NN(C2=NC=NC=C12)C

Technology Process of 1,3-Dimethyl-1h-pyrazolo[3,4-d]pyrimidine

There total 2 articles about 1,3-Dimethyl-1h-pyrazolo[3,4-d]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: 22.0%

4-amino-1,3-dimethyl-1H-pyrazolo<3,4-d>pyrimidine (5346-58-7) + toluene (108-88-3,15644-74-3,16713-13-6) → 1,5-dihydro-1,3-dimethyl-4H-pyrazolo<3,4-d>pyrimidin-4-one (87412-86-0) + 1,3-dimethylpyrazolo<3,4-d>pyrimidine (87412-92-8) + 1,3-dimethyl-4-(p-methylphenyl)pyrazolo<3,4-d>pyrimidine (87412-58-6) + 1,3-dimethyl-4-(o-methylphenyl)pyrazolo<3,4-d>pyrimidine (87412-57-5)

Guidance literature:

With n-Amyl nitrite; toluene-4-sulfonic acid; Yield given. Further byproducts given. Yields of byproduct given; Heating;

DOI:10.1021/jo00172a033

Reference yield: 0.3%

4-amino-1,3-dimethyl-1H-pyrazolo<3,4-d>pyrimidine (5346-58-7) → 1,5-dihydro-1,3-dimethyl-4H-pyrazolo<3,4-d>pyrimidin-4-one (87412-86-0) + 1,3-dimethylpyrazolo<3,4-d>pyrimidine (87412-92-8) + 1,3-dimethyl-4-(pentyloxy)-1H-pyrazolo<3,4-d>pyrimidine (87432-50-6) + 5-<1,3-dimethyl-1H-pyrazol-4-yl>-3-phenyl-1,2,4-oxadiazole (82044-28-8)

Guidance literature:

With n-Amyl nitrite; toluene-4-sulfonic acid; In toluene; Further byproducts given; Heating;

DOI:10.1021/jo00172a033

Reference yield: 77.0%

2-oxo-2-(4-(prop-2-yn-1-yloxy)phenyl)acetic acid + 1,3-dimethylpyrazolo<3,4-d>pyrimidine (87412-92-8) → C17H14N4O2

Guidance literature:

With ammonium peroxydisulfate; silver nitrate; trifluoroacetic acid; In dichloromethane; water; at 60 ℃; for 3h;

DOI:10.1039/d0ob00336k

upstream raw materials:

4-amino-1,3-dimethyl-1H-pyrazolo<3,4-d>pyrimidine

toluene

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