Description

(S)-(+)-5-(trans-4-Propylcyclohexyl)-5,6-dihydro-4H-dinaphtho[2,1-f:1′,2′-h][1,5]dioxonin (CAS: 944537-61-5) 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 provided with excellent optical purity (>98% ee) and is characterized by HPLC, NMR, and mass spectrometry. Supplied as a white to off-white crystalline solid, this compound is stored under inert conditions to ensure stability. Ideal for researchers developing liquid crystals, chiral catalysts, or advanced organic electronic materials.

Properties

• CAS Number: 944537-61-5
• 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 is primarily used in the development of advanced liquid crystalline materials for display technologies due to its rigid, asymmetric structure. Researchers employ it as a building block for synthesizing enantioselective catalysts in asymmetric organic transformations. The compound’s extended aromatic system also makes it of interest for organic semiconductor research and photonic applications.

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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