2H-Pyran-3-carbonitrile, 4-(dimethylamino)-6-(4-fluorophenyl)-2-oxo-

Base Information

• Chemical Name: 2H-Pyran-3-carbonitrile, 4-(dimethylamino)-6-(4-fluorophenyl)-2-oxo-
• CAS No.: 326859-22-7
• Molecular Formula: C₁₄H₁₁FN₂O₂
• Molecular Weight: 258.252
• DSSTox Substance ID: DTXSID60444461
• Nikkaji Number: J1.451.136I
• Wikidata: Q82262599
• Mol file: 326859-22-7.mol

Synonyms:326859-22-7;2H-Pyran-3-carbonitrile, 4-(dimethylamino)-6-(4-fluorophenyl)-2-oxo-;DTXSID60444461;2-Oxo-4-(dimethylamino)-6-(4-fluorophenyl)-2H-pyran-3-carbonitrile

Chemical Property of 2H-Pyran-3-carbonitrile, 4-(dimethylamino)-6-(4-fluorophenyl)-2-oxo-

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 258.08045576
• Heavy Atom Count: 19
• Complexity: 491

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CN(C)C1=C(C(=O)OC(=C1)C2=CC=C(C=C2)F)C#N

Technology Process of 2H-Pyran-3-carbonitrile, 4-(dimethylamino)-6-(4-fluorophenyl)-2-oxo-

There total 3 articles about 2H-Pyran-3-carbonitrile, 4-(dimethylamino)-6-(4-fluorophenyl)-2-oxo- 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: 70.0%

N,N-dimethylammonium chloride (506-59-2) + 6-(4-fluorophenyl)-4-(methylthio)-2-oxo-2H-pyran-3-carbonitrile (153391-26-5) → 3-Cyano-4-dimethylamino-6-(4-fluorophenyl)-2H-pyran-2-one (326859-22-7)

Guidance literature:

With potassium carbonate; In ethanol; for 6h; Heating;

DOI:10.1039/b005572g

Reference yield: 60.0%

cycl-isopropylidene malonate (2033-24-1) + N,N-dimethyl-formamide (68-12-2,33513-42-7) + 6-(4-fluorophenyl)-4-(methylthio)-2-oxo-2H-pyran-3-carbonitrile (153391-26-5) → 4-(4-Fluorophenyl)-2-methyl-6-methylthiobenzonitrile + 3-Cyano-4-dimethylamino-6-(4-fluorophenyl)-2H-pyran-2-one (326859-22-7)

Guidance literature:

With potassium hydroxide; at 20 ℃; for 30h;

DOI:10.1039/b005572g

Reference yield:

dimethyl amine (124-40-3) + 6-(4-fluorophenyl)-4-(methylthio)-2-oxo-2H-pyran-3-carbonitrile (153391-26-5) → 3-Cyano-4-dimethylamino-6-(4-fluorophenyl)-2H-pyran-2-one (326859-22-7)

Guidance literature:

DOI:10.1016/S0040-4039(01)01481-2

upstream raw materials:

cycl-isopropylidene malonate

N,N-dimethyl-formamide

6-(4-fluorophenyl)-4-(methylthio)-2-oxo-2H-pyran-3-carbonitrile

N,N-dimethylammonium chloride