4-[3,5-bis(4-carboxyphenyl)-2,4,6-trimethyl-phenyl]benzoic acid | CAS No. 1246562-60-6

4-[3,5-bis(4-carboxyphenyl)-2,4,6-trimethyl-phenyl]benzoic acid

Basic Information

CAS Number

1246562-60-6

Molecular Formula

C30H24O6

Molecular Weight

480.52 g/mol

AD

Basic Physical Properties

CC1C(C2C=CC(=CC=2)C(O)=O)=C(C)C(C2C=CC(=CC=2)C(O)=O)=C(C)C=1C1C=CC(=CC=1)C(O)=O

InChI

InChI=1S/C30H24O6/c1-16-25(19-4-10-22(11-5-19)28(31)32)17(2)27(21-8-14-24(15-9-21)30(35)36)18(3)26(16)20-6-12-23(13-7-20)29(33)34/h4-15H,1-3H3,(H,31,32)(H,33,34)(H,35,36)

InChIKey

PBPZGWJKXHZWFE-UHFFFAOYSA-N

LogP

6.7074600000000055

Topological Polar Surface Area

111.9 Ų

Hydrogen Bond Donor/Acceptor

3 / 6

Complexity

663

Synonyms & References

English

  • [1,1':3',1''-Terphenyl]-4,4''-dicarboxylic acid, 5'-(4-carboxyphenyl)-2',4',6'-trimethyl-
  • 4-[3,5-bis(4-carboxyphenyl)-2,4,6-trimethyl-phenyl]benzoic acid
  • 5'-(4-Carboxyphenyl)-2',4',6'-trimethyl-[1,1':3',1''-terphenyl]-4,4''-dicarboxylic acid
  • 4,4',4''-(2,4,6-trimethylbenzene-1,3,5-triyl)tribenzoic acid
  • 4-[3,5-bis(4-carboxyphenyl)-2,4,6-trimethylphenyl]benzoic acid
  • H3CTTA

FAQ

What are the physical and chemical properties of 4-[3,5-bis(4-carboxyphenyl)-2,4,6-trimethyl-phenyl]benzoic acid (CAS: 1246562-60-6)?

4-[3,5-bis(4-carboxyphenyl)-2,4,6-trimethyl-phenyl]benzoic acid (CAS: 1246562-60-6) is a solid with a crystalline form. It has a high molecular weight, approximately 799.4 g/mol, and low solubility in water but good solubility in organic solvents like dimethylformamide (DMF) and dimethyl sulfoxide (DMSO). The compound is reactive, especially towards nucleophiles and bases, making it suitable for various chemical transformations. It also exhibits acidic properties due to the carboxylic acid groups.

How is 4-[3,5-bis(4-carboxyphenyl)-2,4,6-trimethyl-phenyl]benzoic acid (CAS: 1246562-60-6) typically synthesized?

4-[3,5-bis(4-carboxyphenyl)-2,4,6-trimethyl-phenyl]benzoic acid (CAS: 1246562-60-6) is typically synthesized via multi-step reactions. A common approach involves the condensation of 4,4'-dihydroxybiphenyl with 4-chlorobenzoic acid, followed by the introduction of the trimethyl group and the formation of the carboxylic acid groups. This process usually requires the use of catalysts such as palladium(II) acetate and triphenylphosphine, and the reaction is carried out under mild conditions to ensure high selectivity and yield.

What industries use 4-[3,5-bis(4-carboxyphenyl)-2,4,6-trimethyl-phenyl]benzoic acid (CAS: 1246562-60-6)?

4-[3,5-bis(4-carboxyphenyl)-2,4,6-trimethyl-phenyl]benzoic acid (CAS: 1246562-60-6) is used in the pharmaceutical industry for the synthesis of novel drugs due to its unique structure and reactivity. It also finds applications in the polymer industry as a monomer for the development of advanced polymers with specific properties. Additionally, it is utilized in the sensor and semiconductor industries for its ability to form stable complexes with metal ions and its potential for use in electronic devices.

What precautions should be taken when handling 4-[3,5-bis(4-carboxyphenyl)-2,4,6-trimethyl-phenyl]benzoic acid (CAS: 1246562-60-6)?

When handling 4-[3,5-bis(4-carboxyphenyl)-2,4,6-trimethyl-phenyl]benzoic acid (CAS: 1246562-60-6), it is crucial to use appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to avoid exposure to airborne particles. Spills should be contained and cleaned up immediately using appropriate absorbents. It is essential to consult the Safety Data Sheet (SDS) for detailed information on handling, storage, and disposal procedures to ensure safety in the laboratory environment.

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