Description

(S)-(+)-5-(trans-4-Propylcyclohexyl)-5,6-dihydro-4H-dinaphtho[2,1-f:1′,2′-h][1,5]dioxonin (CAS: 478689-10-0) is a high-purity chiral organic compound with the molecular formula C₃₂H₃₄O₂. This complex polycyclic structure features a trans-4-propylcyclohexyl group fused to a dinaphthodioxonin core, making it a valuable intermediate in asymmetric synthesis and materials science. The (S)-(+) enantiomer is supplied with guaranteed stereochemical purity (>98% ee) and is characterized by HPLC, NMR, and mass spectrometry. This compound is provided as a white to off-white crystalline solid with a melting point range of 145-148°C and should be stored under inert atmosphere at -20°C. Ideal for research in liquid crystals, chiral catalysts, and advanced organic electronic materials.

Properties

• CAS Number: 478689-10-0
• Complexity: 597
• IUPAC Name: 14-(4-propylcyclohexyl)-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3,5,7,9,18,20,22,24-decaene
• InChI: InChI=1S/C32H34O2/c1-2-7-22-12-14-23(15-13-22)26-20-33-29-18-16-24-8-3-5-10-27(24)31(29)32-28-11-6-4-9-25(28)17-19-30(32)34-21-26/h3-6,8-11,16-19,22-23,26H,2,7,12-15,20-21H2,1H3
• InChI Key: PEDJXJZUJMTWBB-UHFFFAOYSA-N
• Exact Mass: 450.255880323
• Molecular Formula: C32H34O2
• Molecular Weight: 450.6
• SMILES: CCCC1CCC(CC1)C2COC3=C(C4=CC=CC=C4C=C3)C5=C(C=CC6=CC=CC=C65)OC2
• Topological: 18.5
• Monoisotopic Mass: 450.255880323
• Synonyms: 477327-64-3, (S)-(+)-5-(trans-4-Propylcyclohexyl)-5,6-dihydro-4H-dinaphth o(2,1-f:1′,2′-h)(1,5)dioxonin, (S)-(+)-5-(trans-4-Propylcyclohexyl)-5,6-dihydro-4H-dinaphth o[2,1-f:1′,2′-h][1,5]dioxonin, 685-439-1, 944537-61-5, s5011, (13bR)-5,6-Dihydro-5-(trans-4-propylcyclohexyl)-4H-dinaphtho[2,1-f:1′,2′-h][1,5]dioxonin, 478689-10-0, 693227-30-4, S 5011, (13bS)-5,6-Dihydro-5-(trans-4-propylcyclohexyl)-4H-dinaphtho[2,1-f:1′,2′-h][1,5]dioxonin, 4H-Dinaphtho[2,1-f:1′,2′-h][1,5]dioxonin, 5,6-dihydro-5-(trans-4-propylcyclohexyl)-, (13bR)-, 14-(4-Propylcyclohexyl)-12,16-dioxapentacyclo[15.8.0.02,11.03,8.020,25]pentacosa-1(17),2(11),3,5,7,9,18,20,22,24-decaene, 5,6-DIHYDRO-5-(TRANS-4-PROPYLCYCLOHEXYL)-4H-DINAPHTHO[2,1-F:1′,2′-H][1,5]DIOXONIN, trans-9-(4-Propylcyclohexyl)-9,10-dihydro-8H-dinaphtho[2,1-f:1′,2′-h][1,5]dioxonine, R5011 Right, SCHEMBL91903, SCHEMBL802804, SCHEMBL4562139, SCHEMBL10040760, SCHEMBL25985198, PEDJXJZUJMTWBB-UHFFFAOYSA-N, DTXSID601124572, CS-0179550, E84044, F82928, G86146, 4H-Dinaphtho[2,1-f:1′,2′-h][1,5]dioxonin, 5,6-dihydro-5-(trans-4-propylcyclohexyl)-, 9-(4-Propylcyclohexyl)-9,10-dihydro-8H-dinaphtho[2,1-f:1′,2′-h][1,5]dioxonine, (13bR)-5,6-Dihydro-5-(trans-4-propylcyclohexyl)-4H-dinaphtho[2,1-f:1a(2),2a(2)-h][1,5]dioxonin, 4H-Dinaphtho[2,1-f:1?,2?-h][1,5]dioxonin, 5,6-dihydro-5-(trans-4-propylcyclohexyl)-, (13bR)-, 5,6-Dihydro-5-(trans-4-propylcyclohexyl)-4H-dinaphtho[2,1-f:1 inverted exclamation marka,2 inverted exclamation marka-h][1,5]dioxonin

Application

This chiral dioxonin derivative serves as a key building block for liquid crystal research, particularly in the development of ferroelectric smectic phases. The rigid dinaphthodioxonin core provides excellent thermal stability for advanced display materials. Researchers utilize its propeller-like chiral structure in asymmetric catalysis and as a scaffold for molecular recognition systems. The compound has shown promise in organic semiconductor applications due to its extended π-conjugation.

Safety and Hazards

GHS Hazard Statements

• H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]

Precautionary Statements

• P273, and P501

Hazard Classes and Categories

• Aquatic Chronic 4 (100%)

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