2-[3-Cyano-4-(4-fluorophenyl)-5,5-dimethyl-5H-furan-2-ylidene]malononitrile

Base Information

Chemical Name:2-[3-Cyano-4-(4-fluorophenyl)-5,5-dimethyl-5H-furan-2-ylidene]malononitrile
CAS No.:425604-51-9
Molecular Formula:C16H10 F N3 O
Molecular Weight:279.273
Hs Code.:2932190090
DSSTox Substance ID:DTXSID80697073
Nikkaji Number:J2.363.415E
Wikidata:Q82626892
Mol file:425604-51-9.mol

Synonyms:425604-51-9;2-[3-CYANO-4-(4-FLUOROPHENYL)-5,5-DIMETHYL-5H-FURAN-2-YLIDENE]MALONONITRILE;2-(3-Cyano-4-(4-fluorophenyl)-5,5-dimethylfuran-2(5H)-ylidene)malononitrile;SCHEMBL1099754;DTXSID80697073;ZSCNXXRPYCIGMA-UHFFFAOYSA-N;[3-Cyano-4-(4-fluorophenyl)-5,5-dimethylfuran-2(5H)-ylidene]propanedinitrile;2-[3-cyano-4-(4-fluoro-phenyl)-5,5-dimethyl-5H-furan-2-ylidene]-malononitrile;2-[3-Cyano-4-(4-fluorophenyl)-5,5-dimethyl-2,5-dihydrofuran-2-ylidene]malononitrile;2-[3-cyano-4-(4-fluorophenyl)-5,5-dimethyl-2,5-dihydrofuran-2-ylidene]propanedinitrile;3-cyano-2-dicyanomethylen-4-(4-fluorophenyl)-5,5-dimethyl-2,5-dihydrofuran

Suppliers and Price of 2-[3-Cyano-4-(4-fluorophenyl)-5,5-dimethyl-5H-furan-2-ylidene]malononitrile

Supply Marketing:

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

American Custom Chemicals Corporation
2-[3-CYANO-4-(4-FLUOROPHENYL)-5,5-DIMETHYL-5H-FURAN-2-YLIDENE]MALONONITRILE 95.00%
5MG
$ 501.30

Total 1 raw suppliers

Chemical Property of 2-[3-Cyano-4-(4-fluorophenyl)-5,5-dimethyl-5H-furan-2-ylidene]malononitrile

Chemical Property:

Vapor Pressure:0.000108mmHg at 25°C
Refractive Index:1.584
Boiling Point:337.1°Cat760mmHg
Flash Point:157.6°C
PSA：80.60000
Density:1.3g/cm³
LogP:3.21294
XLogP3:1.8
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:279.08079011
Heavy Atom Count:21
Complexity:648

Purity/Quality:: 2-[3-CYANO-4-(4-FLUOROPHENYL)-5,5-DIMETHYL-5H-FURAN-2-YLIDENE]MALONONITRILE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1(C(=C(C(=C(C#N)C#N)O1)C#N)C2=CC=C(C=C2)F)C

Technology Process of 2-[3-Cyano-4-(4-fluorophenyl)-5,5-dimethyl-5H-furan-2-ylidene]malononitrile

There total 2 articles about 2-[3-Cyano-4-(4-fluorophenyl)-5,5-dimethyl-5H-furan-2-ylidene]malononitrile 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: 59.0%

: 335287-91-7
1-(4-fluorophenyl)-2-hydroxy-2-methylpropan-1-one

: 109-77-3
malononitrile

: 425604-51-9
2-[3-cyano-4-(4-fluorophenyl)-5,5-dimethyl-5H-furan-2-ylidene]malononitrile

Guidance literature:: With pyridine; acetic acid; In (2S)-N-methyl-1-phenylpropan-2-amine hydrate;

Reference yield:

: 460-00-4
1-Bromo-4-fluorobenzene

: 425604-51-9
2-[3-cyano-4-(4-fluorophenyl)-5,5-dimethyl-5H-furan-2-ylidene]malononitrile

Guidance literature:: Multi-step reaction with 2 steps

1: magnesium / tetrahydrofuran / 16 h / 20 °C

2: pyridine; ammonium acetate / 24 h / 20 °C

With pyridine; ammonium acetate; magnesium; In tetrahydrofuran;
DOI:10.1002/anie.201410240