Shandong Huashang Chemical Co., Ltd. is a high-tech enterprise specializing in the research and development, manufacturing, and sales of fine chemicals. Headquartered in Jinan, Shandong, China, we are committed to delivering high-quality products to our global partners. Currently, over 90% of our products are exported to developed markets, including North America, Europe, Japan, South Korea, and the Middle East.
Basic Information
IUPAC Name: Undecacyclo[65.3.1.1?,?.111,1?.11?,22.12?,2?.132,3?.13?,?3.1??,??.1?3,??.1??,??]octaconta-1(71),4,6,8(80),11,13,15(79),18,20,22(78),25,27,29(77),32,34,36(76),39,41,43(75),46,48,50(74),53,55,57(73),60,62,64(72),67,69-triacontaene
CAS Number: 18725-72-9
Alias: Deca-m-xylylene, [2.2.2.2.2.2.2.2.2.2]Metacyclophane
Molecular Formula: C??H??
Molecular Weight: 1041.52 g/mol
Structural Information
- Structure Type: Undecacyclic metacyclophane, macrocyclic aromatic compound formed by cyclization of ten m-xylene units.
- Structural Features:
- Highly symmetric cage-like macrocyclic skeleton
- Contains 30 conjugated double bonds
- Rigid aromatic framework; cavity diameter approx. 1.2 nm
Physical & Chemical Properties
- Appearance: White to pale yellow crystalline powder
- Melting Point: > 300 °C (decomposition)
- Boiling Point: Not determined (decompose at high temperature)
- Estimated Density: ~1.1 g/cm3
- Solubility:
- Organic solvents: Soluble in chloroform, dichloromethane, toluene
- Water: Insoluble
- Stability: Stable at room temperature; store away from light and sealed
Synthesis & Applications
Synthesis Method
Prepared by Friedel-Crafts alkylation cyclization of m-xylene; synthesized via cyclization of 1,3-bis(bromomethyl)benzene under high dilution conditions.
Main Applications
- Supramolecular chemistry: Molecular recognition, host-guest chemistry research
- Material science: Organic semiconductor and porous material precursor
- Research reagent: Standard substance for macrocyclic aromatic structure study
Safety & Storage
- Hazard Classification: Non-hazardous chemical
- Toxicity: No acute toxicity data available, low biological toxicity
- Storage Condition: Sealed, dry and dark place at room temperature
- Transportation: Conventional chemical transportation, no special restrictions
Spectral Data
- 1H NMR (CDCl?): δ 7.0–7.3 (m, aromatic H), 3.8–4.0 (m, methylene H)
- UV-Vis: λmax 260 nm, 290 nm (aromatic conjugated system)
- MALDI-TOF MS: m/z 1041.6 [M+H]?
| Item | Specification |
| CAS Number | 18725-72-9 |
| IUPAC Name | Undecacyclo[65.3.1.1?,?.111,1?.11?,22.12?,2?.132,3?.13?,?3.1??,??.1?3,??.1??,??]octaconta-1(71),4,6,8(80),11,13,15(79),18,20,22(78),25,27,29(77),32,34,36(76),39,41,43(75),46,48,50(74),53,55,57(73),60,62,64(72),67,69-triacontaene |
| Alias | Deca-m-xylylene, [2.2.2.2.2.2.2.2.2.2]Metacyclophane |
| Molecular Formula | C??H?? |
| Molecular Weight | 1041.52 |
| Appearance | White to pale yellow crystalline powder |
| Melting Point | ＞300℃ (Decomposition) |
| Solubility | Soluble in chloroform, dichloromethane, toluene; Insoluble in water |
| Storage Condition | Sealed, dry, dark place at room temperature |
| Application | Supramolecular chemistry, material science, research reagent |
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