432025-97-3

Basic information

• Product Name: 5-Ethynylisophthalic acid
• Synonyms: 5-Ethynyl-1,3-benzenedicarboxylic acid;5-Ethynylisophthalic acid;5-ETHYNYLBENZENE-1,3-DIOIC ACID
• CAS NO: 432025-97-3
• Molecular Formula: C₁₀H₆O₄
• Molecular Weight: 190.15224
• Mol File: 432025-97-3.mol

Chemical Properties

• Melting Point: 245-255°C
• Boiling Point: 450.7±40.0 °C(Predicted)
• Appearance: /
• Density: 1.47±0.1 g/cm3(Predicted)
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• PKA: 3.32±0.10(Predicted)
• CAS DataBase Reference: 5-Ethynylisophthalic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 5-Ethynylisophthalic acid(432025-97-3)
• EPA Substance Registry System: 5-Ethynylisophthalic acid(432025-97-3)

Safety Data

• Hazard Codes: Xn
• Statements: 22-36/37/38
• Safety Statements: 26
• WGK Germany: 3
• Hazardous Substances Data: 432025-97-3(Hazardous Substances Data)

Usage

Uses

Used in Chemical Synthesis:
5-Ethynylisophthalic acid is used as a key building block for the synthesis of metal-organic frameworks (MOFs). Its unique structure allows for the creation of MOFs with specific pore sizes and functionalities, which can be further modified through click chemistry to tailor their properties for various applications.
Used in Energy Efficiency Applications:
5-Ethynylisophthalic acid is used as a component in the development of energy-efficient materials. Its incorporation into MOFs can lead to improved performance in areas such as gas storage, separation, and catalysis, contributing to more sustainable and efficient energy solutions.
Used in Advanced Material Design:
5-Ethynylisophthalic acid is used as a versatile linker in the design and synthesis of advanced materials, including MOFs with tailored properties. These materials can be employed in a wide range of industries, from electronics to environmental management, due to their customizable nature and potential for further functionalization.

Upstream product

• 313648-56-5 1,3-dimethyl 5-ethynylisophthalate 
• 857250-41-0 dimethyl 5-(3-hydroxy-3-methyl-1-butynyl)isophthalate 
• 368455-17-8 diethyl 5-(trimethylsilylethynyl)isophthaloate 
• 89343-06-6 tris-iso-propylsilyl acetylene 
• 313648-72-5 dimethyl 5-(trimethylsilylethynyl)benzene-1,3-dicarboxylate 
• 51839-15-7 5-iodo-isophthalic acid dimethyl ester 

Downstream Products

• 957014-40-3 5,5′-(1,4-phenylenedi-2,1-ethynediyl)bis(1,3-benzenedicarboxylic acid) 
• 957421-10-2 C₂₆H₁₄O₈*C₃₆H₆₀O₃₀ 
• 957420-88-1 C₄₆H₂₈O₁₀ 
• 957421-17-9 C₃₆H₆₀O₃₀*C₄₆H₂₈O₁₀ 
• 957420-90-5 C₅₄H₃₂O₁₀ 
• 313648-56-5 1,3-dimethyl 5-ethynylisophthalate 
• 1314941-51-9 tetramethyl 1,1'-butadiynebenzene-3,3',5,5'-tetracarboxylate 
• 393543-05-0 5-ethynylisophthalic acid chloride 

Relevant articles and documents

A NbO-type metal-organic framework derived from a polyyne-coupled di-isophthalate linker formed in situ

A NbO-type metal-organic framework, PCN-46, was constructed based on a polyyne-coupled di-isophthalate linker formed in situ. Its lasting porosity was confirmed by N2 adsorption isotherm, and its H2, CH 4 and CO2 adsorption capacity was examined at 77 K and 298 K over a wide pressure range (0-110 bar).

Two alkynyl functionalized Co(II)-MOFs as fluorescent sensors exhibiting selectivity and sensitivity for Fe3+ and nitroaromatic compounds

Two Co(II)-MOFs with different structures were successfully synthesized under the premise of designing two ligands containing alkynyl functional groups. Complexes 1 ([Co(TEPA)(TPT)2/3]·2DMF·H2O) and 2 ([Co(EPA)(TPT)]·1.5DMF·1.5H

WATER-SOLUBLE NANOPARTICLES

The invention relates to water-soluble nanoparticles and methods for making such nanoparticles. Specifically, the invention relates to dendrimerization to enhance the solubility of nanoparticles.

Two- and three-dimensional silver(I)-organic networks generated from mono- and dicarboxylphenylethynes

Three phenylethynes bearing methyl carboxylate (HL1), monocarboxylate (H2L2), and dicarboxylate (H2L3) groups were utilized as ligands to synthesize a new class of organometallic silver(I)-ethynide complexes as bifunctional building units to assemble silver(I)-organic networks. X-ray crystallographic studies revealed that in [Ag2(L1) 2?AgNO3]∞ (1) (L1= 4-C 2C6H4CO2CH3), one ethynide group interacts with three silver ions to form a complex unit. These units aggregate by sharing silver ions with the other three units to afford a silver column, which are further linked through argentophilic interaction to generate a two-demensional (2D) silver(I) network. In [Ag2(L2) ?3AgNO3?H2O]∞ (2) (L2 = 4-CO2C6H4C2), the ethynide group coordinates to four silver ions to form a building unit (Ag4C 2C6H4CO2), which interacts through silver(I)-carboxylate coordination bonds to generate a wave-like 2D network and is subsequently connected by nitrate anions as bridging ligands to afford a three-demensional (3D) network. In [Ag3(L3)?AgNO 3]∞ (3) (L3 = 3,5-(CO2)2C 6H3C2), the building unit (Ag4C 2C6H3(CO2)2) aggregates to form a dimer [Ag8(L3)2] through argentophilic interaction. The dimeric units interact through silver(I)-carboxylate coordination bonds to directly generate a 3D network. The obtained results showed that as a building unit, silver(I)-ethynide complexes bearing carboxylate groups exhibit diverse binding modes, and an increase in the number of carboxylate groups in the silver(I)-ethynide complex unit leads to higher level architectures. In the solid state, all of the complexes (1, 2, and 3) are photoluminescent at room temperature.

Unusual mixed solvent supramolecular crystal framework formed of a new tecton-like tetracarboxylic building block

A new tecton-like tetracarboxylic compound 1 featuring two isophthalic acid groups attached to both ends of a rigid 1,3- butadiyne spacer unit is synthesised using acetylene blocking/deblocking and coupling techniques. Crystallisation of 1 from DMSO-chloroform solution gives rise to the formation of an unusual mixed solvent crystalline framework structure 1a containing DMSO and chloroform as secondary and tertiary components in 1:2:1 stoichiometric ratio. The X-ray crystal structure of 1a shows interesting stacking mode and hydrogen-bonded, 3D network architecture with the two solvent species being involved in different behaviour pattern.

METHOD OF PRODUCING ETHYNYL COMPOUND, METHOD OF HANDLING ETHYNYL COMPOUND, AND METHOD OF USING ASCORBIC ACID OR SALT THEREOF

A method of producing a first ethynyl compound represented by the following formula (1), the method including reacting a second ethynyl compound represented by the following formula (2) in a liquid phase in the presence of a reducing agent to obtain the first ethynyl compound, wherein Q1 represents an organic group; R1 and R2 each independently represent a hydrogen atom or a hydrocarbon group; and R1 and R2 may be bonded to each other.

Synthesis and photophysical characterization of porphyrin, chlorin and bacteriochlorin molecules bearing tethers for surface attachment

The ability to tailor synthetic porphyrin, chlorin and bacteriochlorin molecules holds promise for diverse studies in artificial photosynthesis. Toward this goal, the synthesis and photophysical characterization of five tetrapyrrole compounds is described

Solid-phase synthesis of oligo(phenylene ethynylene) rotaxanes

(Chemical Equation Presented) Hooks and feelers: The use of a bulky tripod-shaped stopper as a solid-phase attachment point proves essential for the controlled iterative solid-phase synthesis of an α-cyclodextrin [3]rotaxane (see picture). NMR spectroscop

AROMATIC CARBOXYLIC ACIDS, ACID HALIDES THEREOF AND PROCESSES FOR PREPARING BOTH

A novel aromatic carboxylic acid useful as a material for macromolecular compounds and, in particular, for polycondensed macromolecular compounds exhibiting excellent heat resistance, an acid halide derivative thereof and a process for producing these compounds are disclosed. The aromatic carboxylic acid and the acid halide derivative thereof have structures represented general formulae (1) and (2), respectively, and can be efficiently produced from a dialkyl ester derivative of isophthalic acid and an acetylene derivative in accordance with the disclosed process comprising specific steps. In the above formulae, A represents:- C≡C-R1 or (R1 represents hydrogen atom, an alkyl group or an aromatic group, R2 represents an alkyl group or an aromatic group) and X represents a halogen atom.