1-(1,3-dimethyl-1H-pyrazol-4-yl)-4,4,4-trifluorobutane-1,3-dione

Base Information

• Chemical Name: 1-(1,3-dimethyl-1H-pyrazol-4-yl)-4,4,4-trifluorobutane-1,3-dione
• CAS No.: 758709-44-3
• Molecular Formula: C₉H₉F₃N₂O₂
• Molecular Weight: 234.178
• DSSTox Substance ID: DTXSID901170043
• Mol file: 758709-44-3.mol

Synonyms:758709-44-3;1-(1,3-dimethyl-1H-pyrazol-4-yl)-4,4,4-trifluorobutane-1,3-dione;1-(1,3-dimethylpyrazol-4-yl)-4,4,4-trifluorobutane-1,3-dione;1-(1,3-Dimethyl-1H-pyrazol-4-yl)-4,4,4-trifluoro-1,3-butanedione;1,3-Butanedione, 1-(1,3-dimethyl-1H-pyrazol-4-yl)-4,4,4-trifluoro-;1-(1,3-Dimethyl-1H-pyrazol-4-yl)-4,4,4-trifluoro-butane-1,3-dione;DTXSID901170043;MFCD03419772;AKOS000308263;CS-0331130;A915243;4,4,4-trifluro-1-(1,3-dimethyl-1h-pyrazol-4-yl)butane-1,3-dione

Chemical Property of 1-(1,3-dimethyl-1H-pyrazol-4-yl)-4,4,4-trifluorobutane-1,3-dione

Chemical Property:

• XLogP3: 1.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 3
• Exact Mass: 234.06161202
• Heavy Atom Count: 16
• Complexity: 304

Purity/Quality:

97% ^*data from raw suppliers

1-(1,3-Dimethyl-1H-pyrazol-4-yl)-4,4,4-trifluorobutane-1,3-dione 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=NN(C=C1C(=O)CC(=O)C(F)(F)F)C

Technology Process of 1-(1,3-dimethyl-1H-pyrazol-4-yl)-4,4,4-trifluorobutane-1,3-dione

There total 1 articles about 1-(1,3-dimethyl-1H-pyrazol-4-yl)-4,4,4-trifluorobutane-1,3-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: 82.0%

ethyl trifluoroacetate, (383-63-1) + 1-(1,3-dimethyl-1H-pyrazol-4-yl)ethan-1-one (52773-23-6) → 1-(1,3-dimethyl-1H-pyrazol-4-yl)-4,4,4-trifluoro-1,3-butanedione (758709-44-3)

Guidance literature:

With ethanol; sodium hydride; In vaseline oil; diethyl ether; at 30 ℃; for 4h; Inert atmosphere;

DOI:10.1007/s10593-011-0821-1

upstream raw materials:

ethyl trifluoroacetate,

1-(1,3-dimethyl-1H-pyrazol-4-yl)ethan-1-one