4105-93-5

Basic information

• Product Name: DIETHYL 1,3,5-BENZENETRICARBOXYLATE
• Synonyms: DIETHYL 1,3,5-BENZENETRICARBOXYLATE;DIETHYL 5-CARBOXY-ISOPHTHALATE;Diethyl 1,3,5-benzenetricarboxylate 95%
• CAS NO: 4105-93-5
• Molecular Formula: C₁₃H₁₄O₆
• Molecular Weight: 266.25
• Product Categories: Building Blocks;C12 to C63;Carbonyl Compounds;Chemical Synthesis;Esters;Organic Building Blocks
• Mol File: 4105-93-5.mol
• Article Data: 5

Chemical Properties

• Melting Point: 152-154 °C(lit.)
• Boiling Point: 432.8°C at 760 mmHg
• Flash Point: 163.4°C
• Appearance: /
• Density: 1.263g/cm³
• Vapor Pressure: 2.93E-08mmHg at 25°C
• Refractive Index: 1.538
• CAS DataBase Reference: DIETHYL 1,3,5-BENZENETRICARBOXYLATE(CAS DataBase Reference)
• NIST Chemistry Reference: DIETHYL 1,3,5-BENZENETRICARBOXYLATE(4105-93-5)
• EPA Substance Registry System: DIETHYL 1,3,5-BENZENETRICARBOXYLATE(4105-93-5)

Safety Data

• WGK Germany: 3
• Hazardous Substances Data: 4105-93-5(Hazardous Substances Data)

Usage

Description

DIETHYL 1,3,5-BENZENETRICARBOXYLATE is a colorless and odorless chemical compound with a molecular formula of C14H18O6 and a molecular weight of 282.29 g/mol. It is commonly used as a fragrance ingredient in various consumer products and as a plasticizer in the production of plastics and resins. DIETHYL 1,3,5-BENZENETRICARBOXYLATE is considered to have low toxicity and is generally regarded as safe for use in consumer products when used in accordance with recommended guidelines.

Uses

Used in Fragrance Industry:
DIETHYL 1,3,5-BENZENETRICARBOXYLATE is used as a fragrance ingredient for its ability to provide a pleasant scent to various consumer products such as perfumes, lotions, and soaps.
Used in Plastics and Resins Industry:
DIETHYL 1,3,5-BENZENETRICARBOXYLATE is used as a plasticizer to enhance the flexibility and workability of various plastics and resins during their production process.
Safety Precautions:
It is important to handle DIETHYL 1,3,5-BENZENETRICARBOXYLATE with care and use it in well-ventilated areas, as prolonged exposure to high concentrations may cause irritation to the skin, eyes, and respiratory system.

InChI:InChI=1/C13H14O6/c1-3-18-12(16)9-5-8(11(14)15)6-10(7-9)13(17)19-4-2/h5-7H,3-4H2,1-2H3,(H,14,15)

Upstream product

• 4105-92-4 triethyl benzene-1,3,5-tricarboxylate 

Downstream Products

• 181425-91-2 diethyl 5-(hydroxymethyl)isophthalate 
• 1427037-77-1 5-((2-((tert-butoxycarbonyl)amino)ethyl)carbamoyl)isophthalic acid 
• 1427037-76-0 diethyl 5-((2-((tert-butoxycarbonyl)amino)ethyl)carbamoyl)isophthalate 
• 651354-75-5 5-[2-(3 benzyloxycarbonylamino-propionylamino)-ethylcarbamoyl]-isophthalic acid diethyl ester 
• 869528-99-4 5-(methyl-propylcarbamoyl)-isophthalic acid diethyl ester 
• 181425-99-0 C₃₃H₃₅BrO₁₀ 
• 181425-95-6 C₃₃H₃₆O₁₁ 
• 181426-03-9 C₇₃H₇₆O₂₃ 
• 156750-11-7 5-(bromomethyl)isophthalic acid diethyl ester 
• 226249-81-6 5-(1,3-dihydroxy-4,4,5,5-tetramethyl-imidazolidin-2-yl)-isophthalic acid 

Relevant articles and documents

Synthetic study and structure of cage-type cyclophane C36H36S6

A cage compound was synthesized in order to investigate the structure and cation-π interactions of the metal ion complex. The multi-step synthesis was achieved starting from trimesic acid triethyl ester. In solution, a completely symmetrical structure that was anticipated by the molecular design was observed by 1H and 13C NMR spectroscopy. However, in the solid state, X-ray crystallographic analysis revealed that the compound had a collapsed structure.

Viologen-based benzylic dendrimers: selective synthesis of 3,5-bis(hydroxymethyl)benzylbromide and conformational analysis of the corresponding viologen dendrimer subunit

Convergent and divergent strategies for the synthesis of viologen dendrimers with 1,3,5-tri-methylene-branching units are discussed. The title compound is easily transformed into 1-[3,5-bis(hydroxymethyl)benzyl]-4-(pyridin-4-yl)pyridinium hexafluorophosphate, which is used in sequential growth and activation steps as a CB2 compound in the cascade-type dendrimer synthesis (B = -OH, activation = -OH → Br). Analysis of the dendrimer structure reveals that three torsional angles, that is, τ1 between the two pyridinium units, τ2 between the methylene and pyridinium and τ3 between the methylene and phenyl, determine the conformational space of the dendrimers. We report here the crystal structure of 1-[3,5-bis(hydroxymethyl)benzyl]-4-(pyridin-4-yl)pyridinium as PF6- salt which represents the smallest subunit of the dendrimer that shows the same three torsional angles. The crystal structure together with the results from PM3 calculations opens an avenue to judge the structure of benzylic viologen-based dendrimers.

Isophthalate ester-terminated dendrimers: Versatile nanoscopic building blocks with readily modifiable surface functionalities

The preparation and modification of highly functionalized polyether dendrimers containing a versatile diethyl isophthalate terminal group is presented. The convergent synthesis consists of the construction of diester-terminated dendrons containing benzylic bromide functions at the focal point and their subsequent attachment to 4,4'-biphenol cores. Dendrons up to the third generation can be prepared using recrystallization alone as the primary means of purification, allowing the synthesis to be performed on the scale of tens to hundreds of grams. The third and fourth generation bidendron dendrimers (with 32 and 64 terminal ester functionalities, respectively) have been subjected to a variety of surface modification reactions including hydrolysis, ester interchange, and amide-ester interchange, many of which proceed with complete conversion of the functional groups and in high isolated yield. The addition of alcohols such as benzyl alcohol or a first generation 3,5-di(benzyloxy)benzyl alcohol dendron to the dendrimer surface serves to increase the generation number of the dendrimers by one or two in what amounts to a 'double convergent growth' approach. The analysis of these structurally precise dendrimers by matrix-assisted laser desorption ionization time of flight is described.