1-Methyl-1,4-dihydro-pyrazolo[4,3-d]pyrimidine-5,7-dione

Base Information

• Chemical Name: 1-Methyl-1,4-dihydro-pyrazolo[4,3-d]pyrimidine-5,7-dione
• CAS No.: 83824-38-8
• Molecular Formula: C₆H₆N₄O₂
• Molecular Weight: 166.139
• European Community (EC) Number: 868-492-7
• DSSTox Substance ID: DTXSID30433100
• Wikidata: Q82247227
• Mol file: 83824-38-8.mol

Synonyms:83824-38-8;1-Methyl-1,4-dihydro-pyrazolo[4,3-d]pyrimidine-5,7-dione;1-methyl-1H-pyrazolo[4,3-d]pyrimidine-5,7(4H,6H)-dione;1-Methyl-1H-pyrazolo[4,3-d]pyrimidine-5,7-diol;1-methyl-4H-pyrazolo[4,3-d]pyrimidine-5,7-dione;SCHEMBL1096280;SCHEMBL14020991;DTXSID30433100;OAXSBZVGKPGEDJ-UHFFFAOYSA-N;MFCD16620709;AKOS027338911;SB38940;AS-36553;CS-0340589;EN300-1588625;A934741;Z1255429801;1-methyl-1H,4H,5H,6H,7H-pyrazolo[4,3-d]pyrimidine-5,7-dione

Chemical Property of 1-Methyl-1,4-dihydro-pyrazolo[4,3-d]pyrimidine-5,7-dione

Chemical Property:

• PSA: 83.80000
• LogP: -0.63780
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: -0.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 166.04907545
• Heavy Atom Count: 12
• Complexity: 242

Purity/Quality:

99% ^*data from raw suppliers

1-Methyl-1H-pyrazolo[4,3-D]pyrimidine-5,7-diol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1C2=C(C=N1)NC(=O)NC2=O

Technology Process of 1-Methyl-1,4-dihydro-pyrazolo[4,3-d]pyrimidine-5,7-dione

There total 15 articles about 1-Methyl-1,4-dihydro-pyrazolo[4,3-d]pyrimidine-5,7-dione 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: 100.0%

4-amino-1-methyl-1H-pyrazole-5-carboxamide (92534-73-1) + urea (57-13-6) → 1-methyl-1H-pyrazolo[4,3-d]pyrimidine-5,7-(4H,6H)-dione (83824-38-8)

Guidance literature:

at 200 ℃; for 2h; Neat (no solvent);

DOI:10.1016/j.bmc.2011.11.037

Reference yield: 97.0%

4-amino-1-methyl-1H-pyrazole-5-carboxamide (92534-73-1) → 1-methylpyrazolo[4,3-d]pyrimidine-5,7-diol (83824-38-8)

Guidance literature:

With 1,1'-carbonyldiimidazole; In N,N-dimethyl-formamide; at 90 ℃; for 24h;

Reference yield: 91.5%

4-amino-1-methyl-1H-pyrazole-5-carboxamide (92534-73-1) + 1,1'-carbonyldiimidazole (530-62-1) → 1-methyl-1H-pyrazolo[4,3-d]pyrimidine-5,7-(4H,6H)-dione (83824-38-8)

Guidance literature:

In acetonitrile; at 100 ℃; for 19h; Inert atmosphere; Reflux;

DOI:10.1016/j.bmcl.2013.07.027

upstream raw materials:

C₅H₈N₄O*ClH

urea

1-methyl-4-nitro-1H-pyrazole-5-carboxamide

1,1'-carbonyldiimidazole

Downstream raw materials:

5,7-dichloro-1-methyl-1H-pyrazolo[4,3-d]pyrimidine

(S)-1-ethyl-3-(4-(1-methyl-7-(3-methylmorpholino)-1H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl)urea

5-{[(4-methoxy-phenyl)carbamoyl]amino}-8-(furan-2-yl)-1-methyl-1H-pyrazolo[3,4-e][1,2,4]triazolo[1,5-c]pyrimidine

5-cyclohexylamino-8-(furan-2-yl)-1-methyl-1H-pyrazolo[3,4-e][1,2,4]triazolo[1,5-c]pyrimidine