Description

2-[4-(3,7-Dimethyloctoxy)phenyl]-1-methyl-4-prop-1-enylnaphthalene;1-(3,7-dimethyloctyl)-4,5-dimethyl-2-prop-1-enylbenzene;1-(2-ethylhexoxy)-4-methoxy-5-methyl-2-prop-1-enylbenzene (CAS No. 181214-73-3) is a high-purity synthetic organic compound with a complex molecular structure (C₇₀H₁₀₂O₃), designed for advanced research applications. This meticulously formulated blend features three distinct components: a naphthalene derivative with a dimethyloctoxy-phenyl group, a dimethyloctyl-substituted benzene, and an ethylhexoxy-methoxy-methyl benzene variant, all incorporating a prop-1-enyl functional group. The precise stoichiometric ratio and isomeric purity of this compound make it particularly valuable for materials science investigations, liquid crystal research, and organic electronic applications. Each batch undergoes rigorous QC testing including HPLC, GC-MS, and NMR to ensure ≥95% purity (custom purity grades available). Packaged under inert gas in amber glass vials with PTFE-lined caps to ensure stability. SDS and analytical certificates provided.

Properties

• CAS Number: 181214-73-3
• Complexity: 1090
• IUPAC Name: 2-[4-(3,7-dimethyloctoxy)phenyl]-1-methyl-4-prop-1-enyl-naphthalene;1-(3,7-dimethyloctyl)-4,5-dimethyl-2-prop-1-enyl-benzene;1-(2-ethylhexoxy)-4-methoxy-5-methyl-2-prop-1-enyl-benzene
• InChI: InChI=1S/C30H38O.C21H34.C19H30O2/c1-6-10-26-21-30(24(5)28-13-7-8-14-29(26)28)25-15-17-27(18-16-25)31-20-19-23(4)12-9-11-22(2)3;1-7-9-20-14-18(5)19(6)15-21(20)13-12-17(4)11-8-10-16(2)3;1-6-9-11-16(8-3)14-21-19-12-15(4)18(20-5)13-17(19)10-7-2/h6-8,10,13-18,21-23H,9,11-12,19-20H2,1-5H3;7,9,14-17H,8,10-13H2,1-6H3;7,10,12-13,16H,6,8-9,11,14H2,1-5H3
• InChI Key: XGCBVOXJCJAWOM-UHFFFAOYSA-N
• Exact Mass: 990.78289711
• Molecular Formula: C70H102O3
• Molecular Weight: 991.6
• SMILES: CCCCC(CC)COC1=C(C=C(C(=C1)C)OC)C=CC.CC=CC1=CC(=C(C2=CC=CC=C21)C)C3=CC=C(C=C3)OCCC(C)CCCC(C)C.CC=CC1=C(C=C(C(=C1)C)C)CCC(C)CCCC(C)C
• Topological: 27.7
• Monoisotopic Mass: 990.78289711
• Synonyms: 181214-73-3, 2-[4-(3,7-dimethyloctoxy)phenyl]-1-methyl-4-[(E)-prop-1-enyl]naphthalene;1-(3,7-dimethyloctyl)-4,5-dimethyl-2-[(E)-prop-1-enyl]benzene;1-(2-ethylhexoxy)-4-methoxy-5-methyl-2-[(E)-prop-1-enyl]benzene

Application

This specialized compound is primarily utilized in advanced material science research, particularly in the development of novel liquid crystal formulations and organic semiconductors. The unique combination of aromatic systems with flexible alkyl/alkoxy chains enables tunable mesomorphic properties. Researchers also employ it as a building block for supramolecular architectures due to its rigid-flexible hybrid structure. The prop-1-enyl groups offer potential sites for further functionalization through cross-coupling reactions.

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