2359-09-3

Basic information

• Product Name: 5-TERT-BUTYLISOPHTHALIC ACID
• Synonyms: 1,3-Benzenedicarboxylicacid,5-(1,1-dimethylethyl)-;5-(1,1-Dimethylethyl)-1,3-benzenedicarboxylic acid;5-tert-Butyl-m-phthalic acid;5-tert-Butyl-1,3-benzenedicarboxylic acid,98%;Einecs 219-100-2;Isophthalic acid, 5-tert-butyl-;5-tert-Butylisophthalic acid 98%;5-tert-Butylisophthalic Acid
• CAS NO: 2359-09-3
• Molecular Formula: C₁₂H₁₄O₄
• Molecular Weight: 222.24
• EINECS: 219-100-2
• Product Categories: Phthalic Acids, Esters and Derivatives;Carboxylic Acid Monomers;Monomers;Polymer Science
• Mol File: 2359-09-3.mol
• Article Data: 3

Chemical Properties

• Melting Point: >300 °C(lit.)
• Boiling Point: 400 °C at 760 mmHg
• Flash Point: 209.8 °C
• Appearance: white to very slightly yellow fine cryst. powder
• Density: 1.226 g/cm³
• Vapor Pressure: 4.09E-07mmHg at 25°C
• Refractive Index: 1.559
• Storage Temp.: Sealed in dry,Room Temperature
• PKA: 3.63±0.10(Predicted)
• CAS DataBase Reference: 5-TERT-BUTYLISOPHTHALIC ACID(CAS DataBase Reference)
• NIST Chemistry Reference: 5-TERT-BUTYLISOPHTHALIC ACID(2359-09-3)
• EPA Substance Registry System: 5-TERT-BUTYLISOPHTHALIC ACID(2359-09-3)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39
• WGK Germany: 3
• Hazardous Substances Data: 2359-09-3(Hazardous Substances Data)

Usage

InChI:InChI=1/C12H14O4/c1-12(2,3)9-5-7(10(13)14)4-8(6-9)11(15)16/h4-6H,1-3H3,(H,13,14)(H,15,16)

Upstream product

• 253185-03-4 tert-butylbenzene 
• 142-82-5 n-heptane 
• 1822-71-5 n-pentylsodium 
• 108-38-3 m-xylene 
• 100141-30-8 acetic acid-(4-tert-butyl-2-chloro-anilide) 
• 42265-67-8 4-t-butyl-2-chloroaniline 
• 20330-45-4 4-tert-butylacetanilide 
• 186581-53-3 diazomethane 
• 124-38-9 carbon dioxide 
• 3972-55-2 1-tert-butyl-3-chloro-benzene 
• 14593-46-5 sodium tert-pentoxide 
• 630-19-3 pivalaldehyde 
• 127-17-3 2-oxo-propionic acid 
• 98-19-1 5-tert-Butyl-m-xylene 

Downstream Products

• 13239-25-3 5-tert-butylisophthaloyl dichloride 
• 377731-29-8 3-(tert-butyl)-5-(methoxycarbonyl)benzoic acid 
• 16308-65-9 dimethyl 5-(tert-butyl)isophthalate 
• 1638142-45-6 C₂₀H₂₂N₄*C₁₂H₁₂O₄^(2-)*Co⁽²⁺⁾ 
• 1638142-44-5 C₁₈H₁₈N₄*C₁₂H₁₂O₄^(2-)*Co⁽²⁺⁾*H₂O 
• 1638341-97-5 {[Co(N,N'-bis-(4-pyridylmethyl)piperazine)(5-tert-butylisophthalic acid(-2H))]*H₂O} 

Relevant articles and documents

Examination of the Dynamic Covalent Chemistry of [2 + 3]-Imine Cages

The synthesis of shape-persistent organic cage compounds by the formation of imine bonds opens the possibility to realize cages of different sizes, geometries, topologies, and functions. It is generally assumed that the imine bond is rather chemically labile allowing a self-correction mechanism until thermodynamic equilibrium is reached, which is often the case if a cage is formed. However, there are some contradictory experimental data to this assumption. To get a deeper insight into the imine bond dynamics of covalent organic cages, we studied the formation and exchange of both dialdehydes and triamines of two different [2 + 3] imine cages with the aid of a deuterated dialdehyde molecular building block.

Dimetalation: The acidity of monometalated arenes towards superbasic reagents

Twofold hydrogen/metal interconversions ("dimetalations") can be accomplished with "spiny" arenes (tert-butylbenzene, 1,4-di-tert-butylbenzene, 1,1,3,3-tetramethylindane and congeners) and N,N-crowded anilines (2,2,6,6-tetramethyl-1-phenylpiperidine and N