Description

(1S,4R)-4-Propyl-4′-(4-(trifluoromethoxy)phenyl)-1,1′-bi(cyclohexane) (CAS No. 133937-72-1) is a high-purity organic compound with the molecular formula C₂₂H₃₁F₃O. This stereospecific bicyclohexyl derivative features a propyl group and a trifluoromethoxy-substituted phenyl ring, offering unique structural and electronic properties for advanced research applications. Its IUPAC name is 1-[4-(4-propylcyclohexyl)cyclohexyl]-4-(trifluoromethoxy)benzene, and it is identified by the registry number MFCD20488041. The compound’s rigid cyclohexyl backbone and trifluoromethoxy moiety make it valuable for studies in liquid crystal materials, medicinal chemistry, and fluorinated organic synthesis. Available in research quantities with guaranteed purity and characterization data (NMR, HPLC, MS).

Properties

• CAS Number: 133937-72-1
• Complexity: 398
• IUPAC Name: 1-[4-(4-propylcyclohexyl)cyclohexyl]-4-(trifluoromethoxy)benzene
• InChI: InChI=1S/C22H31F3O/c1-2-3-16-4-6-17(7-5-16)18-8-10-19(11-9-18)20-12-14-21(15-13-20)26-22(23,24)25/h12-19H,2-11H2,1H3
• InChI Key: AJQMFUYBFQQAKA-UHFFFAOYSA-N
• Exact Mass: 368.23270009
• Molecular Formula: C22H31F3O
• Molecular Weight: 368.5
• SMILES: CCCC1CCC(CC1)C2CCC(CC2)C3=CC=C(C=C3)OC(F)(F)F
• Topological: 9.2
• Monoisotopic Mass: 368.23270009
• Synonyms: 133937-72-1, (1S,4R)-4-Propyl-4′-(4-(trifluoromethoxy)phenyl)-1,1′-bi(cyclohexane), 1-[4-(4-propylcyclohexyl)cyclohexyl]-4-(trifluoromethoxy)benzene, MFCD20488041, TRANS,TRANS-4-N-PROPYL-4′-[4-(TRIFLUOROMETHOXY)PHENYL]BICYCLOHEXYL, 4-Propyl-4′-(4-(trifluoromethoxy)phenyl)bi(cyclohexane), rel-(1S,4R)-4-Propyl-4′-(4-(trifluoromethoxy)phenyl)-1,1′-bi(cyclohexane), 1998215-85-2, trans,trans-4′-Propyl-4-(4-trifluoromethoxyphenyl)bicyclohexyl, Benzene,1-[(trans,trans)-4′-propyl[1,1′-bicyclohexyl]-4-yl]-4-(trifluoromethoxy)-, tFMeO-3bcHP, 1-[(TRANS,TRANS)-4′-PROPYL[1,1′-BICYCLOHEXYL]-4-YL]-4-(TRIFLUOROMETHOXY)BENZENE, SCHEMBL3437337, SCHEMBL4795540, SCHEMBL4795550, DTXSID40928355, AJQMFUYBFQQAKA-VVPTUSLJSA-N, 4-Propyl-4′-[4-(trifluoroMethoxy)phenyl]-1,1′-bi(cyclohexyl), AKOS022179369, Benzene, 4-(4′-propyl[1,1′-bicyclohexyl]-4-yl)-1-(trifluoromethoxy)-, SB66638, DS-15505, SY121029, CS-0061434, NS00134140, P2464, W16919, 1-[(trans,trans)-4′-propyl[1,1′-bicyclo…, 4-n-Propyl-4′-[4-(trifluoromethoxy)phenyl]bicyclohexyl, (1s,1’r,4r,4’r)-4-Propyl-4′-[4-(trifluoromethoxy)phenyl]-1,1′-bi(cyclohexyl), (trans,trans)-4-Propyl-4 inverted exclamation mark -[4-(trifluoromethoxy)phenyl]-1,1 inverted exclamation mark -bi(cyclohexane), 177552-91-9

Application

This compound serves as a key intermediate in the synthesis of liquid crystal materials due to its rigid bicyclohexyl core and fluorine-containing substituent, which influence mesophase behavior. Researchers also utilize it in medicinal chemistry for structure-activity relationship (SAR) studies of fluorinated bioactive molecules. Its stereospecific configuration makes it valuable for asymmetric synthesis and chiral phase investigations.

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