1,3-dimethyl-1H-pyrazolo[4,3-d]pyrimidine-5,7(4H,6H)-dione

Base Information

Chemical Name:1,3-dimethyl-1H-pyrazolo[4,3-d]pyrimidine-5,7(4H,6H)-dione
CAS No.:109421-37-6
Molecular Formula:C7H8N4O2
Molecular Weight:180.166
Hs Code.:
DSSTox Substance ID:DTXSID201193967
Mol file:109421-37-6.mol

Synonyms:1,3-dimethyl-1H-pyrazolo[4,3-d]pyrimidine-5,7(4H,6H)-dione;SCHEMBL1608899;POLDZKDQNFLQRP-UHFFFAOYSA-N;DTXSID201193967;109421-37-6;1,3-Dimethyl-1H-pyrazolo[4,3-d]pyrimidine-5,7-diol;1,3-dimethyl-1H-pyrazolo[4,3-d]-pyrimidine-5,7(4H,6H)-dione

Suppliers and Price of 1,3-dimethyl-1H-pyrazolo[4,3-d]pyrimidine-5,7(4H,6H)-dione

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

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Chemical Property of 1,3-dimethyl-1H-pyrazolo[4,3-d]pyrimidine-5,7(4H,6H)-dione

Chemical Property:

XLogP3:-0.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:0
Exact Mass:180.06472551
Heavy Atom Count:13
Complexity:267

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1=NN(C2=C1NC(=O)NC2=O)C

Technology Process of 1,3-dimethyl-1H-pyrazolo[4,3-d]pyrimidine-5,7(4H,6H)-dione

There total 1 articles about 1,3-dimethyl-1H-pyrazolo[4,3-d]pyrimidine-5,7(4H,6H)-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:

: 3920-37-4
1,3-dimethyl-4-nitro-1H-pyrazole-5-carboxylic acid

: 109421-37-6
1,3-dimethyl-1H-pyrazolo[4,3-d]pyrimidine-5,7(4H,6H)-dione

Guidance literature:: Multi-step reaction with 3 steps

1.1: oxalyl dichloride; N,N-dimethyl-formamide / dichloromethane / 17 h / 20 °C / Inert atmosphere

1.2: 16 h / 20 °C

2.1: palladium 10% on activated carbon; hydrogen / ethanol; ethyl acetate / 5 h / 2585.81 Torr / Inert atmosphere

3.1: acetonitrile / 19 h / 100 °C / Inert atmosphere; Reflux

With oxalyl dichloride; palladium 10% on activated carbon; hydrogen; N,N-dimethyl-formamide; In ethanol; dichloromethane; ethyl acetate; acetonitrile;
DOI:10.1016/j.bmcl.2013.07.027

Reference yield:

: 109421-37-6
1,3-dimethyl-1H-pyrazolo[4,3-d]pyrimidine-5,7(4H,6H)-dione

: 1285500-15-3
(S)-1-ethyl-3-(4-(7-(3-ethylmorpholino)-1,3-dimethyl-1H-pyrazolo[4,3-d]pyrimidin-5-yl)phenyl)urea

Guidance literature:: Multi-step reaction with 3 steps

1: trichlorophosphate; N,N-diethylaniline / 18 h / 130 °C / Inert atmosphere

2: N-ethyl-N,N-diisopropylamine / N,N-dimethyl-formamide / 4 h / 20 °C / Inert atmosphere

3: tetrakis(triphenylphosphine) palladium⁽⁰⁾; sodium carbonate; potassium acetate / acetonitrile / 0.25 h / 120 °C / Microwave irradiation; Inert atmosphere

With tetrakis(triphenylphosphine) palladium⁽⁰⁾; potassium acetate; sodium carbonate; N-ethyl-N,N-diisopropylamine; N,N-diethylaniline; trichlorophosphate; In N,N-dimethyl-formamide; acetonitrile; 3: |Suzuki Coupling;
DOI:10.1016/j.bmcl.2013.07.027