2,3,6,7-Tetramethyl-1H,5H-pyrazolo[1,2-a]pyrazole-1,5-dione

Base Information

• Chemical Name: 2,3,6,7-Tetramethyl-1H,5H-pyrazolo[1,2-a]pyrazole-1,5-dione
• CAS No.: 68654-23-9
• Molecular Formula: C10H12N2O2
• Molecular Weight: 192.217
• DSSTox Substance ID: DTXSID90498513
• Wikidata: Q82348607
• Mol file: 68654-23-9.mol

Synonyms:68654-23-9;2,3,6,7-Tetramethyl-1H,5H-pyrazolo[1,2-a]pyrazole-1,5-dione;anti-(Methyl,methyl)bimane;DTXSID90498513;AKOS006328955;FT-0748805

Chemical Property of 2,3,6,7-Tetramethyl-1H,5H-pyrazolo[1,2-a]pyrazole-1,5-dione

Chemical Property:

• PSA: 42.96000
• LogP: 0.43060
• XLogP3: 0.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 192.089877630
• Heavy Atom Count: 14
• Complexity: 378

Purity/Quality:

97% ^*data from raw suppliers

ANTI-(METHYL,METHYL)BIMANE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=C(N2C(=O)C(=C(N2C1=O)C)C)C

Technology Process of 2,3,6,7-Tetramethyl-1H,5H-pyrazolo[1,2-a]pyrazole-1,5-dione

There total 11 articles about 2,3,6,7-Tetramethyl-1H,5H-pyrazolo[1,2-a]pyrazole-1,5-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: 63.0%

9,10-dioxa-syn-(methyl,methyl)bimane (68654-22-8) → 3,4,7,8-tetramethyl-1,5-diazabicyclo<3.3.0>octa-3,7-diene-2,6-dione (68654-23-9)

Guidance literature:

at 280 ℃; for 20h;

DOI:10.1021/ja00535a028

Reference yield: 42.0%

2-acetylpropanoic acid ethyl ester (609-14-3) + 5-hydroxy-3,4-dimethylpyrazole → 4,5,4',5'-tetramethyl-2,4,2',4'-tetrahydro-[4,4']bipyrazolyl-3,3'-dione (92188-13-1) + 9,10-dioxa-syn-(methyl,methyl)bimane (68654-22-8) + 3,4,7,8-tetramethyl-1,5-diazabicyclo<3.3.0>octa-3,7-diene-2,6-dione (68654-23-9)

Guidance literature:

at 200 - 220 ℃; for 8h;

Reference yield: 37.0%

4-bromo-3,4-dimethylpyrazol-5-one (100130-07-2) → 4,5,4',5'-tetramethyl-2,4,2',4'-tetrahydro-[4,4']bipyrazolyl-3,3'-dione (92188-13-1) + 9,10-dioxa-syn-(methyl,methyl)bimane (68654-22-8) + 3,4,7,8-tetramethyl-1,5-diazabicyclo<3.3.0>octa-3,7-diene-2,6-dione (68654-23-9)

Guidance literature:

With sodium carbonate; In water; for 4h; Ambient temperature;

upstream raw materials:

3,4-dimethyl-4-chloro-2-pyrazolin-5-one

4,4-dibromo-5-methyl-2,4-dihydro-3H-pyrazol-3-one

4-bromo-3,4-dimethylpyrazol-5-one

α,β-dimethyl-β-<3,4-dimethyl-5-hydroxypyrazol-1-yl>acrylic acid lactone

Downstream raw materials:

9,10-dioxa-anti-(bromomethyl,methyl)(methyl,methyl)bimane