6-amino-1,3-dimethyl-4-(4-(trifluoromethyl)phenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Base Information

• Chemical Name: 6-amino-1,3-dimethyl-4-(4-(trifluoromethyl)phenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
• CAS No.: 1637739-82-2
• Molecular Formula: C16H13F3N4O
• Molecular Weight: 334.3
• Mol file: 1637739-82-2.mol

Synonyms:BQU57;6-amino-1,3-dimethyl-4-(4-(trifluoromethyl)phenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Chemical Property of 6-amino-1,3-dimethyl-4-(4-(trifluoromethyl)phenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

Chemical Property:

• Boiling Point: 493.4±45.0 °C(Predicted)
• PKA: 2.92±0.40(Predicted)
• PSA: 76.86000
• Density: 1.43±0.1 g/cm3(Predicted)
• LogP: 3.66578
• Solubility.: insoluble in H2O; ≥16.55 mg/mL in DMSO; ≥9.2 mg/mL in EtOH

Purity/Quality:

97% ^*data from raw suppliers

BQU57 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Uses: BQU57 ia a novel blocker of Ral function.

Technology Process of 6-amino-1,3-dimethyl-4-(4-(trifluoromethyl)phenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

There total 2 articles about 6-amino-1,3-dimethyl-4-(4-(trifluoromethyl)phenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile 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: 46.0%

4-Trifluoromethylbenzaldehyde (455-19-6) + 1,3-dimethyl-5-pyrazolone (2749-59-9) + malononitrile (109-77-3) → 6-amino-1,3-dimethyl-4-(4-(trifluoromethyl)phenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (1637739-82-2)

Guidance literature:

4-Trifluoromethylbenzaldehyde; malononitrile; With triethylamine; In ethanol; for 0.166667h;

1,3-dimethyl-5-pyrazolone; In ethanol; for 22h;

Reference yield:

2-(4-trifluoromethylbenzylidene)malononitrile (75833-84-0) + 1,3-dimethyl-5-pyrazolone (2749-59-9) → 6-amino-1,3-dimethyl-4-(4-(trifluoromethyl)phenyl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (1637739-82-2)

Guidance literature:

DOI:10.1038/nature13713

upstream raw materials:

2-(4-trifluoromethylbenzylidene)malononitrile

1,3-dimethyl-5-pyrazolone

4-Trifluoromethylbenzaldehyde

malononitrile