436097-14-2

Basic information

• Product Name: 2-dicyanoMethylene-3-cyano-4-Methyl-5-phenyl-5- trifluoroMethyl-2,5-dihydrofuran
• Synonyms: 2-dicyanoMethylene-3-cyano-4-Methyl-5-phenyl-5- trifluoroMethyl-2,5-dihydrofuran;2-[3-Cyano-4-Methyl-5-phenyl-5-(trifluoroMethyl)-2(5H)-furanylidene]-propanedinitrile;2-(3-Cyano-4-Methyl-5-Phenyl-5-(Trifluoromethyl)Furan-2(5H)-Ylidene)Malononitrile;2-(3-Cyano-4-Methyl-5-Phenyl-5-(Trifluoromethyl)Furan-2(5H)-Ylidene)Malononitrile(WXC02374)
• CAS NO: 436097-14-2
• Molecular Formula: C₁₆H₈F₃N₃O
• Molecular Weight: 315.2494296
• Mol File: 436097-14-2.mol
• Article Data: 5

Chemical Properties

• Appearance: /
• Density: 1.40±0.1 g/cm3 (20 ºC 760 Torr)
• CAS DataBase Reference: 2-dicyanoMethylene-3-cyano-4-Methyl-5-phenyl-5- trifluoroMethyl-2,5-dihydrofuran(CAS DataBase Reference)
• NIST Chemistry Reference: 2-dicyanoMethylene-3-cyano-4-Methyl-5-phenyl-5- trifluoroMethyl-2,5-dihydrofuran(436097-14-2)
• EPA Substance Registry System: 2-dicyanoMethylene-3-cyano-4-Methyl-5-phenyl-5- trifluoroMethyl-2,5-dihydrofuran(436097-14-2)

Safety Data

• Hazardous Substances Data: 436097-14-2(Hazardous Substances Data)

Usage

General Description

2-dicyanoMethylene-3-cyano-4-Methyl-5-phenyl-5- trifluoroMethyl-2,5-dihydrofuran is a chemical compound with a complex molecular structure. It is an organic compound with two cyanide groups and a trifluoromethyl group attached to a furan ring. The presence of these functional groups gives this compound a high reactivity and potential for use in organic synthesis. It is commonly used as a reagent in the preparation of various organic compounds and can also be used as a building block in the synthesis of pharmaceuticals, agrochemicals, and other fine chemicals. The compound's unique structure and reactivity make it a valuable tool for chemical research and development.

Upstream product

• 109-77-3 malononitrile 
• 436097-07-3 4,4,4-trifluoro-3-hydroxy-3-phenyl-2-butanone 
• 434-45-7 2,2,2-Trifluoroacetophenone 
• 130865-83-7 Ethyl α-hydroxy-α-(trifluoromethyl)phenylacetate 

Downstream Products

• 885691-46-3 2-(3-Cyano-4-{(E)-3-[3-((E)-2-{4-[ethyl-(2-methoxymethoxy-ethyl)-amino]-phenyl}-vinyl)-2-(2-hydroxy-ethyl)-5,5-dimethyl-cyclohex-2-en-(E)-ylidene]-propenyl}-5-phenyl-5-trifluoromethyl-5H-furan-2-ylidene)-malononitrile 
• 1042150-17-3 C₄₇H₄₀F₃N₅O₃S 
• 1354221-98-9 C₈₂H₆₁F₁₃N₄O₁₀ 
• 1259926-38-9 2-(4-{2-[5-(2-{2-benzyloxy-4-[(2-hydroxyethyl)methylamino]phenyl}vinyl)thiophene-2-yl]vinyl}-3-cyano-5-phenyl-5-trifluoromethyl-5H-furan-2-ylidene)malononitrile 
• 1259926-43-6 C₃₂H₂₃F₃N₄O₂S 
• 1297378-62-1 C₄₅H₄₉F₃N₄O₂Si 
• 1297378-64-3 C₄₃H₄₇F₃N₄O₂Si 
• 958001-69-9 C₄₄H₄₉F₃N₄O₂Si 
• 1267604-81-8 2-[4-[2-(4-dibutylamino-2-methoxyphenyl)vinyl]-3-cyano-5-phenyl-5-trifluoromethyl-2(5H)-furanylidene]propanedinitrile 
• 1267603-67-7 2-[4-[2-[5-[2-(4-dibutylamino-2-methoxyphenyl)vinyl]thiophene-2-yl]vinyl]-3-cyano-5-phenyl-5-trifluoromethyl-2(5H)-furanylidene]propanedinitrile 

Relevant articles and documents

Systematic study of the structure-property relationship of a series of ferrocenyl nonlinear optical chromophores

A series of novel nonlinear optical (NLO) chromophores 1-4 incorporating the ferrocenyl (Fc) group as an electron donor and 2-dicyanomethylene-3-cyano-4- methyl-2,5-dihydrofuran (TCF) derivatives as electron acceptors are presented. The use of a constant Fc donor and varied acceptors and bridges makes it possible to systematically determine the contribution of the conjugated bridge and the acceptor strength to chromophore nonlinear optical activity. The X-ray crystal structures of all four chromophores allow for the systematic investigation of the structure-property relationship for this class of molecules. For example, the crystal structures reveal that both cyclopentadienyl groups in the ferrocenyl donor contribute to the electron donating ability. The first-order hyperpolarizabilities β of these chromophores, measured by hyper-Rayleigh scattering (HRS) relative to p-nitroaniline are reported. These β values are compared to those calculated by density functional theory (DFT). The excellent agreement between the theoretical and experimental β values demonstrates that a linear relation exists between the hyperpolarizability and the bond length alternation. An electrooptic coefficient, r33, of ～25 pm/V at 1300 nm, for compound 4, incorporated into a polymer matrix, is competitive with organic chromophores. Moreover, this r33 is more than 30 times larger than the previously reported value for an organometallic chromophore in a poled polymer matrix. This work not only underscores the potential for Fc donor moieties, which have been underutilized, but also demonstrates that experimental characterization and theoretical simulations are now congruent, viable methods for assessing potential performance of NLO materials.

With D - π - A structure of the organic second-order non-linear optical chromophore and synthetic method and use

The invention relates to the field of organic second-order nonlinear optical materials and especially relates to an organic second-order nonlinear optical chromophore which has a D-pi-A structure and utilizes julolidine or its derivative as an electron donor, a thiophene ring or a cyclic polyene structure as a conjugate electron bridge and tricyano-dihydro furan or trifluoro-substituted tricyano-dihydro furan as an electron acceptor, and its synthesis method and use. Through combination of the used electron donor, conjugate pi electron bridge and electron acceptor, the organic second-order nonlinear optical chromophore can improve an intramolecular electron transfer capability and improve intermolecular steric hindrance. The organic second-order nonlinear optical chromophore can effectively improve a chromophore molecule first-order hyperpolarization rate (beta) and can effectively reduce intermolecular interaction. The organic second-order nonlinear optical chromophore adopted with amorphous polycarbonate can be used for preparation of a polarized polymer film. The polarized polymer film can be used as a material in the optical signal modulation field. The organic second-order nonlinear optical chromophore has a structure shown in the following description.

COMPOSITIONS AND METHODS FOR THE TREATMENT OF PATHOLOGICAL CONDITION(S) RELATED TO GPR35 AND/OR GPR35-HERG COMPLEX

Disclosed are compositions and methods for the prevention and/or treatment of diseases which are pathophysiologically related to GPR35, and/or GPR35-hERG signaling complex. For example, disclosed are compounds for preventing and/or treating diseases which are pathophysiologically related to GPR35 in a subject. The compounds having a formula (I), (II) or (III):