3-Pyridinecarbonitrile, 1,2-dihydro-4-(2-(difluoromethoxy)phenyl)-6-phenyl-2-thioxo-

Base Information

Chemical Name:3-Pyridinecarbonitrile, 1,2-dihydro-4-(2-(difluoromethoxy)phenyl)-6-phenyl-2-thioxo-
CAS No.:78578-72-0
Molecular Formula:C19H12F2N2OS
Molecular Weight:354.38
Hs Code.:
DSSTox Substance ID:DTXSID20229175
Wikidata:Q83109380

Synonyms:BRN 4717644;3-Pyridinecarbonitrile, 1,2-dihydro-4-(2-(difluoromethoxy)phenyl)-6-phenyl-2-thioxo-;1,2-Dihydro-4-(2-(difluoromethoxy)phenyl)-6-phenyl-2-thioxo-3-pyridinecarbonitrile;78578-72-0;C19H12F2N2OS;XILRKAOXCKEMES-UHFFFAOYSA-;DTXSID20229175;C19-H12-F2-N2-O-S;LS-130362;InChI=1/C19H12F2N2OS/c20-19(21)24-17-9-5-4-8-13(17)14-10-16(12-6-2-1-3-7-12)23-18(25)15(14)11-22/h1-10,19H,(H,23,25)

Suppliers and Price of 3-Pyridinecarbonitrile, 1,2-dihydro-4-(2-(difluoromethoxy)phenyl)-6-phenyl-2-thioxo-

Supply Marketing:

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

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Chemical Property of 3-Pyridinecarbonitrile, 1,2-dihydro-4-(2-(difluoromethoxy)phenyl)-6-phenyl-2-thioxo-

Chemical Property:

Vapor Pressure:1.62E-09mmHg at 25°C
Boiling Point:483.9°C at 760 mmHg
Flash Point:246.4°C
Density:1.38g/cm³
XLogP3:4.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:354.06384051
Heavy Atom Count:25
Complexity:629

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC=C(C=C1)C2=CC(=C(C(=S)N2)C#N)C3=CC=CC=C3OC(F)F

Technology Process of 3-Pyridinecarbonitrile, 1,2-dihydro-4-(2-(difluoromethoxy)phenyl)-6-phenyl-2-thioxo-

There total 3 articles about 3-Pyridinecarbonitrile, 1,2-dihydro-4-(2-(difluoromethoxy)phenyl)-6-phenyl-2-thioxo- 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: 37.0%

: 7357-70-2
Cyanothioacetamide

: 78564-15-5
o-Difluoromethoxybenzylideneacetophenone

: 78578-72-0
4-(2-Difluoromethoxy-phenyl)-6-phenyl-2-thioxo-1,2-dihydro-pyridine-3-carbonitrile

Guidance literature:: With sodium methylate; for 1.5h; Heating;
DOI:10.1007/BF00505994

Reference yield:

: 71653-64-0
o-difluoromethoxybenzaldehyde

: 78578-72-0
4-(2-Difluoromethoxy-phenyl)-6-phenyl-2-thioxo-1,2-dihydro-pyridine-3-carbonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: 67 percent / 3N KOH / ethanol / 1) 20 deg C, 5h; 2) 0 deg C, 20 h

2: 37 percent / 8.5percent sol. of CH₃ONa / 1.5 h / Heating

With potassium hydroxide; sodium methylate; In ethanol;
DOI:10.1007/BF00505994

Reference yield:

: 98-86-2
acetophenone

: 78578-72-0
4-(2-Difluoromethoxy-phenyl)-6-phenyl-2-thioxo-1,2-dihydro-pyridine-3-carbonitrile

Guidance literature:: Multi-step reaction with 2 steps

1: 67 percent / 3N KOH / ethanol / 1) 20 deg C, 5h; 2) 0 deg C, 20 h

2: 37 percent / 8.5percent sol. of CH₃ONa / 1.5 h / Heating

With potassium hydroxide; sodium methylate; In ethanol;
DOI:10.1007/BF00505994