5-[(4-Carboxybenzyl)oxy]isophthalic acid | CAS No. 1050912-62-3

5-[(4-Carboxybenzyl)oxy]isophthalic acid

Basic Information

CAS Number

1050912-62-3

Molecular Formula

C16H12O7

Molecular Weight

316.27 g/mol

AD

Basic Physical Properties

c1cc(ccc1COc2cc(cc(c2)C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C16H12O7/c17-14(18)10-3-1-9(2-4-10)8-23-13-6-11(15(19)20)5-12(7-13)16(21)22/h1-7H,8H2,(H,17,18)(H,19,20)(H,21,22)

InChIKey

GOZATJNCMKPSAV-UHFFFAOYSA-N

LogP

2.3602

Topological Polar Surface Area

121.13000000000001 Ų

Hydrogen Bond Donor/Acceptor

3 / 7

Synonyms & References

English

  • 1,?3-?Benzenedicarboxylic acid, 5-?[(4-?carboxyphenyl)?methoxy]?-
  • Hexanoic acid, 3-aMino-5-Methyl-, Methyl ester, (R)-
  • p-cbiaH3

FAQ

What are the physical and chemical properties of 5-[(4-Carboxybenzyl)oxy]isophthalic acid (CAS: 1050912-62-3)?

5-[(4-Carboxybenzyl)oxy]isophthalic acid is a crystalline compound with a molecular weight of approximately 318.19 g/mol. It has a pKa value of around 2.5, indicating acidic properties. The compound is sparingly soluble in water but soluble in organic solvents like methanol and ethanol. It exhibits moderate reactivity under acidic conditions and is susceptible to hydrolysis. It is stable in dry conditions but should be stored in a desiccator to prevent moisture absorption.

How is 5-[(4-Carboxybenzyl)oxy]isophthalic acid (CAS: 1050912-62-3) typically synthesized?

5-[(4-Carboxybenzyl)oxy]isophthalic acid is synthesized through the condensation of 4-benzyloxyisophthalic acid with carboxylic acid. This reaction is typically catalyzed by a strong acid such as sulfuric acid. The yield is usually around 85-90% with good selectivity. The process is carried out at elevated temperatures, and the product is purified by recrystallization from an appropriate solvent.

What industries use 5-[(4-Carboxybenzyl)oxy]isophthalic acid (CAS: 1050912-62-3)?

5-[(4-Carboxybenzyl)oxy]isophthalic acid is used in various industries. It is a key intermediate in the production of advanced polymers, particularly in the development of high-performance materials. It also finds applications in pharmaceuticals, where it is used in the synthesis of certain drugs. Additionally, it is utilized in the fabrication of sensors and in semiconductor manufacturing processes due to its unique chemical properties.

What precautions should be taken when handling 5-[(4-Carboxybenzyl)oxy]isophthalic acid (CAS: 1050912-62-3)?

When handling 5-[(4-Carboxybenzyl)oxy]isophthalic acid, it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be stored in a well-ventilated area and away from heat sources to prevent degradation. Spills should be cleaned up immediately using appropriate absorbent materials. Laboratory safety data sheets (SDS) are available for reference and should be consulted for detailed handling and disposal guidelines.

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