Description

(1R,4R)-4-ethyl-4′-(3,4,5-trifluorophenyl)-1,1′-bi(cyclohexane) (CAS No. 139215-80-8) is a high-purity fluorinated bicyclohexyl derivative with the molecular formula C₂₀H₂₇F₃. This compound is characterized by its stereospecific (1R,4R) configuration and features a 3,4,5-trifluorophenyl moiety attached to a bicyclohexyl backbone. It is a valuable intermediate in organic synthesis and materials science, particularly for applications requiring rigid, fluorinated aromatic systems. The compound is supplied as a white to off-white crystalline solid with ≥95% purity (HPLC) and is suitable for research, pharmaceutical development, and advanced material applications. Store under inert conditions at 2-8°C to ensure stability.

Properties

• CAS Number: 139215-80-8
• Complexity: 344
• IUPAC Name: 5-[4-(4-ethylcyclohexyl)cyclohexyl]-1,2,3-trifluoro-benzene
• InChI: InChI=1S/C20H27F3/c1-2-13-3-5-14(6-4-13)15-7-9-16(10-8-15)17-11-18(21)20(23)19(22)12-17/h11-16H,2-10H2,1H3
• InChI Key: DXFHMMVZUZLQFU-UHFFFAOYSA-N
• Exact Mass: 324.20648535
• Molecular Formula: C20H27F3
• Molecular Weight: 324.4
• SMILES: CCC1CCC(CC1)C2CCC(CC2)C3=CC(=C(C(=C3)F)F)F
• Monoisotopic Mass: 324.20648535
• Synonyms: 139215-80-8, (1R,4R)-4-ethyl-4′-(3,4,5-trifluorophenyl)-1,1′-bi(cyclohexane), BENZENE, 5-[(TRANS,TRANS)-4′-ETHYL[1,1′-BICYCLOHEXYL]-4-YL]-1,2,3-TRIFLUORO-, trans,trans-4′-Ethyl-4-(3,4,5-trifluorophenyl)bicyclohexyl, 5-[4-(4-ETHYLCYCLOHEXYL)CYCLOHEXYL]-1,2,3-TRIFLUOROBENZENE, 4-ETHYL-4′-(3,4,5-TRIFLUOROPHENYL)-1,1′-BI(CYCLOHEXANE), Trans,trans-4-(4′-ethylbicyclohexyl)-1,2,3-trifluorobenzene, rel-(1R,1’r,4R,4’R)-4-ethyl-4′-(3,4,5-trifluorophenyl)-1,1′-bi(cyclohexane), 2196180-91-1, 5-[4-(4-ethylcyclohexyl)cyclohexyl]-1,2,3-trifluoro-benzene, Trans,trans-4-(4/’-ethylbicyclohexyl)-1,2,3-trifluorobenzene, 1,2,3-Trifluoro-5-[(trans,trans)-4′-ethyl[1,1′-bicyclohexyl]-4-yl]benzene, DXFHMMVZUZLQFU-UHFFFAOYSA-N, 2bcHtFP, MFCD12911825, CCP 2FFF, 2-HHB(F,F)-F, SCHEMBL3437354, SCHEMBL8015649, SCHEMBL8015656, SCHEMBL8736434, 4-ethyl-4′-(3,4,5-trifluorophenyl)-1,1′-bi(cyclohexyl), DTXSID90566544, TRANS-4-ETHYL-4′-(3,4,5-TRIFLUOROPHENYL)BICYCLOHEXYL, AKOS015917872, AKOS016003843, AKOS032953582, 3,4,5-TRIFLUORO-1-[TRANS-4-(TRANS-4-ETHYLCYCLOHEXYL)CYCLOHEXYL]BENZENE, DS-15513, CS-0153909, E1156, D90595, (1R,4r)-4-ethyl-4′-(3,4,5-trifluorophenyl)bi(cyclohexane), Trans,trans-1-(4′-ethylbicyclohexyl)-3,4,5-trifluorobenzene, Trans-4-Ethyl-4′-(3,4,5-trifluorophenyl)-1,1′-bi(cyclohexane), 1,2,3-Trifluoro-5-[(trans,trans)-4-ethyl[1,1-bicyclohexyl]-4-yl]benzene, trans(trans)-4-Ethyl-4′-(3,4,5-trifluorophenyl)-1,1′-bi(cyclohexane), [trans(trans)]-5-(4′-Ethyl[1,1′-bicyclohexyl]-4-yl)-1,2,3-trifluorobenzene, 3,4,5-Trifluoro-1-[trans-4′-( trans-4”-ethylcyclohexyl) -cyclohexyl]benzene, 1~4~-Ethyl-3~3~,3~4~,3~5~-trifluoro-1~1~,1~2~,1~3~,1~4~,1~5~,1~6~,2~1~,2~2~,2~3~,2~4~,2~5~,2~6~-dodecahydro-1~1~,2~1~:2~4~,3~1~-terphenyl

Application

This compound is primarily used as a key intermediate in the synthesis of liquid crystal materials, particularly for high-performance displays due to its rigid, fluorinated structure. It also serves as a building block in pharmaceutical research for developing novel bioactive molecules. Researchers utilize it in the study of structure-activity relationships in fluorinated aromatic systems.

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