117241-31-3

Basic information

• Product Name: Benzoic acid, 3,4,5-tris(dodecyloxy)-
• CAS NO: 117241-31-3
• Molecular Formula: C43H78O5
• Molecular Weight: 675.089
• Mol File: 117241-31-3.mol
• Article Data: 83

Chemical Properties

• CAS DataBase Reference: Benzoic acid, 3,4,5-tris(dodecyloxy)-(CAS DataBase Reference)
• NIST Chemistry Reference: Benzoic acid, 3,4,5-tris(dodecyloxy)-(117241-31-3)
• EPA Substance Registry System: Benzoic acid, 3,4,5-tris(dodecyloxy)-(117241-31-3)

Safety Data

• Hazardous Substances Data: 117241-31-3(Hazardous Substances Data)

Upstream product

• 123126-39-6 methyl [3,4,5-tris(n-dodecan-1-yloxy)]benzoate 
• 1228276-91-2 propyl 3,4,5-tris(n-dodecan-1-yloxy)benzoate 
• 10157-76-3 dodecyl 4-methylbenzenesulphonate 
• 831-61-8 Ethyl gallate 
• 143-15-7 1-dodecylbromide 
• 99-24-1 methyl galloate 
• 112-52-7 1-chlorododecane 
• 149-91-7 3,4,5-trihydroxybenzoic acid 
• 117241-30-2 ethyl 3,4,5-tri(dodecyloxy)benzoate 

Downstream Products

• 350015-49-5 4'-hydroxybiphenyl-4-yl 3,4,5-tri(dodecyloxy)benzoate 
• 380441-58-7 3,4,5-tris(dodecyloxy)benzoic acid 2,5-dioxopyrrolidin-1-yl ester 
• 187584-96-9 4-[3',4',5'-tris(dodecyloxy)benzoyloxy]benzoic acid 
• 859839-18-2 4,4'-bis[3,4,5-tris(dodecyloxy)benzoyloxymethyl]-2,2'-bipyridine 
• 1032944-74-3 N-[2-(tert-butyl-dimethyl-silanyloxy)-1,1-bis-(tert-butyl-dimethyl-silanyloxymethyl)-ethyl]-3,4,5-tris-dodecyloxy-benzamide 
• 474297-36-4 4-ethynylbenzyl 3,4,5-tris(dodecan-1-yloxy)benzoate 
• 123126-47-6 3,4,5-tridodecyloxyphenyl isocyanate 
• 123126-44-3 3,4,5-tris(dodecyloxy)benzoyl azide 
• 117241-33-5 3,4,5-tris(dodecanyloxy)benzoyl chloride 

Relevant articles and documents

Synthesis of triphenylene discotic liquid crystals possessing nine alkyl chains: Influence of molecular symmetry and chain length on mesomorphism

A series of new triphenylene discotic liquid crystals has been synthesized by a straightway and the influence of molecular symmetry and chain length on the mesomorphism investigated. The symmetrical compounds 1, 3,7,11- trimethoxytriphenylene-2,6,10-triyl tris(3,4,5-tris(alkyloxy)benzoate), with alkyl chain lengths of C7, C8, C10, and C12, and the unsymmetrical compounds 2 were studied by using polarized optical microscopy (POM), differential scanning calorimetry (DSC) and by wide-angle X-ray diffraction (XRD). The results showed that the symmetrical compounds 1a (C7) and 1b (C8) exhibit a plastic columnar mesophase, whereas the other compounds display a hexagonal columnar mesophase over a wide temperature range. All symmetrical compounds 1 display higher isotropization temperatures than that of the unsymmetrical 2. The clearing points are lowered as the alkyl chain lengthened.

A columnar mesophase from a disc-shaped molecule derived from triphenylamine: synthesis, mesomorphic behaviour and optical properties

The design and synthesis of a disc-like liquid crystalline compound using triphenylamine as a core has been achieved. The mesogenic properties were characterized by polarizing microscopy and differential scanning calorimetry and XRD studies. The compound

Topochemical polymerization of dumbbell-shaped diacetylene monomers: Relationship between chemical structure, molecular packing structure, and gelation property

Herein, we have synthesized novel photopolymerizable dumbbell-shaped diacetylene liquid crystal (LC) monomers by locating a diacetylene dicarboxylic acid group at the center and chemically connecting swallow-tails, such as hydrophobic alkyl chains (abbreviated as AT3DI) and amphiphilic biphenyl mesogens (abbreviated as BP3DI), with bisamide groups. Major phase transitions of dumbbell-shaped diacetylene monomers were identified using differential scanning calorimetry (DSC), polarized optical microscopy (POM), and Fourier transform infrared spectroscopy (FT IR). Molecular packing structures were studied based on structure-sensitive wide-angle X-ray diffraction (WAXD) and small-angle X-ray scattering (SAXS) analyses. Mainly, due to nanophase separations and strong intermolecular hydrogen bonding, AT3DI formed a low-ordered lamellar LC phase at room temperature. BP3DI self-assembled into highly-ordered crystal phases (K1 and K2) at lower temperatures below a low-ordered lamellar LC phase, in which BP3DI were intercalated with each other to compensate the mutual volume differences. From the photopolymerization of AT3DI and BP3DI, it was realized that the topochemical reactions of dumbbell-shaped diacetylene monomers were closely related to their chemical structures as well as molecular packing structures.

Hydrogen-bonding induced melamine-core supramolecular discotic liquid crystals

Recognition of melamine is not only of importance for the food industry but also an interesting scientific research topic. The objective of this work is to screen suitable hydrogen-bonding complementary compounds for the construction of melamine-core supr

Polymorphous Luminescent Materials Based on ′T′-Shaped Molecules Bearing 4,7-Diphenylbenzo[c][1,2,5]thiadiazole Skeletons: Effect of Substituents on the Photophysical Properties

Polymorphism, the intrinsic character of one chemical compound with at least two distinct phase arrangements, plays a very key role in the photophysical properties. In this contribution, four ′T′-shaped molecules bearing the 2,1,3-benzothiadiazole (BTD) skeleton, named 5 a–5 d, were prepared and characterized. All compounds exhibited excellent thermal stability and polymorphism in the solid state, evident from thermogravimetric analysis, differential scanning calorimetry, and polarized optical microscopy results. Intense emissions with high photoluminescent quantum yields were achieved both in solution (56–97 %) and neat films (33–98 %). All compounds possessed clearly pH-dependent luminescence properties in solution. Additionally, compound 5 d showed useful mechanochromic luminescence owing to the transformation between the crystal and amorphous state. Employing compounds 5 a–5 d as the dopant, solution-processable organic light-emitting diodes (OLEDs) were fabricated and presented a highest external quantum efficiency of 6.15 %, which is higher than the theoretical value of fluorescence-based OLEDs (～5 %). This research provided a novel strategy for designing high-efficiency BTD-based polymorphic luminescent materials.

Self-assembly and solid-state polymerization of butadiyne derivatives with amide and trialkoxyphenyl groups

Three butadiyne derivatives with amide and tri(dodecyloxy)-phenyl (TDP) groups were synthesized, and four solidification methods were applied to obtain their self-assembling states in various conditions. The solids obtained were characterized by the solid-state polymerization behaviors, stretching vibration wavenumbers of N-H bonds of amide groups, powder X-ray diffraction, the thermal behaviors, and scanning electron microscope (SEM) observations. We found that all compounds had at least two polymorphs. Property differences between two polymorphs depended on the compounds. Two compounds showed clear differences in UV-vis spectra of the photo-polymerized solids, i.e., the polydiacetylene (PDA) structure, and irregularly polymerized form, or two PDA structures. The remaining compound showed the same PDA absorption but the monomer melting points were different. All compounds gave the gels in various organic solvents because of the molecular design with amide and TDP groups. SEM observation clarified the relationship between gel appearance and the nanostructures.

Trigonal columnar self-assembly of bent phasmid mesogens

Three compounds with a bent rod-like aromatic core and with three alkoxy chains at each end were synthesised by click reaction. The compounds form a columnar liquid crystal phase with non-centrosymmetric trigonal p31m symmetry, the columns having a 3-arm star-like cross-section.

Supramolecular Gel Phase Controlled [4 + 2] Diels-Alder Photocycloaddition for Electroplex Mediated White Electroluminescence

Diels-Alder photocycloaddition of 9-phenylethynylanthracene results in multiple [4 + 2] and [4 + 4] cycloaddition products in solution, which can be controlled to form specific products under a restricted environment. We have exploited the gel phase of a

Creation of a mixed-valence state from one-dimensionally aligned TTF utilizing the self-assembling nature of a low molecular-weight gel

One-dimensional TTF assemblies have been obtained through the design of low molecular-weight gels, which show a characteristic absorption band at around 1750 nm upon I2 doping, assignable to a mixed-valence state of the TTF assemblies. Copyrigh

Unique monotropic phase transition behaviors of a butterfly-shaped diphenylpyrimidine molecule

The physical properties of two-dimensional disc-shaped aromatic carbon molecules strongly depend on the molecular packing structures. A butterfly-shaped diphenylpyrimidine molecule (DPP-6C12) was synthesized by covalently attaching two tridodecyl benzoate tails (6C12) at the both sides of the diphenylpyrimidine (DPP) moiety. Unique phase transition behaviors of DPP-6C12 and their origins were investigated with the combined techniques of thermal, scattering, spectroscopic, and microscopic analyses. On the basis of the experimental results and analyses, it was realized that a butterfly-shaped DPP-6C12 formed three ordered phases: a plastic crystal phase (PK), a crystal phase (K), and a liquid crystal phase (Φ). By breaking the molecular symmetry and coplanarity of DPP-6C12, peculiar monotropic phase transition behaviors were observed. The stable Φ mesophase was formed either by a slow heating above the metastable PK phase or by an isothermal annealing between TΦ and TK. The stable K phase was only formed by a slow heating from the preordered Φ mesophase, and the formation of the K phase directly from the isotropic state (I) was forbidden because the nucleation barrier from I to K was too high to be overcome via thermal annealing.

3,4,5-tri-dodecyloxybenzoic acid: Optimisation and scale-up of the synthesis

The synthesis of tris-0-dodecyl-gallic acid (3,4,5-tri-dodecyloxybenzoic acid) - a versatile building block for organic liquid crystalline materials - has been selected for fine chemical scale-up. A large-scale procedure of the alkylation of methyl gallat

Influence of functional groups on the self-assembly of liquid crystals

Functional groups in the molecule play an important role in the molecular organization process. To reveal the influence of functional groups on the self-assembly at interface, herein, the self-assembly structures of three liquid crystal molecules, which only differ in the functional groups, are explicitly characterized by using scanning tunneling microscopy (STM). The high-resolution STM images demonstrate the difference between the supramolecular assembly structures of three liquid crystal molecules, which attribute to the hydrogen bonding interaction and π-π stacking interaction between different functional groups. The density functional theory (DFT) results also confirm the influence of these functional groups on the self-assemblies. The effort on the self-assembly of liquid crystal molecules at interface could enhance the understanding of the supramolecular assembly mechanism and benefit the further application of liquid crystals.

Liquid crystal phosphorescent material based on cyclometalated complex and application thereof

The invention discloses a cyclometalated organic liquid crystal phosphorescent material based on 2-phenylpyridine as a main ligand and acetylacetone as an auxiliary ligand. A benzoic acid derivative liquid crystal unit is introduced into the main ligand 2