Description

Cholesteryl 4-(allyloxy)benzoate (CAS No. 83953-73-5) is a high-purity cholesteric liquid crystal derivative with the molecular formula C₃₇H₅₄O₃. This compound features a cholesterol core functionalized with a 4-(allyloxy)benzoate group, making it a valuable intermediate for advanced materials research. Its IUPAC name is [(3S,8S,9S,10R,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 4-prop-2-enoxybenzoate. Ideal for researchers in liquid crystal displays (LCDs), photonics, and organic synthesis, this product is rigorously tested for consistency and purity. Available in milligram to gram quantities, it is supplied with comprehensive analytical data (HPLC, NMR) to ensure reproducibility in your experiments.

Properties

• CAS Number: 83953-73-5
• Complexity: 912
• IUPAC Name: [(3S,8S,9S,10R,13R,14S,17R)-17-[(1R)-1,5-dimethylhexyl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] 4-allyloxybenzoate
• InChI: InChI=1S/C37H54O3/c1-7-23-39-29-14-11-27(12-15-29)35(38)40-30-19-21-36(5)28(24-30)13-16-31-33-18-17-32(26(4)10-8-9-25(2)3)37(33,6)22-20-34(31)36/h7,11-15,25-26,30-34H,1,8-10,16-24H2,2-6H3/t26-,30+,31+,32-,33+,34+,36+,37-/m1/s1
• InChI Key: PQOVAJQYXGNAQV-RMCWQMHZSA-N
• Exact Mass: 546.40729558
• Molecular Formula: C37H54O3
• Molecular Weight: 546.8
• SMILES: C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)C5=CC=C(C=C5)OCC=C)C)C
• Topological: 35.5
• Monoisotopic Mass: 546.40729558
• Synonyms: Cholesteryl 4-(allyloxy)benzoate, 83953-73-5, SCHEMBL7711483, PQOVAJQYXGNAQV-RMCWQMHZSA-N, DTXSID501302743

Application

Cholesteryl 4-(allyloxy)benzoate is widely used in the development of cholesteric liquid crystal materials for tunable optical devices, including reflective displays and lasers. Its allyloxy group enables further functionalization via click chemistry, facilitating the design of polymer-stabilized liquid crystal systems. Researchers also employ it in studies of helical twisting power (HTP) and phase behavior in chiral nematic mixtures. This compound is particularly valuable for prototyping smart windows and light-modulating films.

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