4,4'-[(E)-1,2-Diphenyl-1,2-ethenediyl]dibenzoic acid

Basic Information

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CAS Number

1002339-79-8

Molecular Formula

C28H20O4

Molecular Weight

420.46 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

SMILES

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c1ccc(cc1)/C(=C(/c2ccccc2)\c3ccc(cc3)C(=O)O)/c4ccc(cc4)C(=O)O

InChI

InChI=1S/C28H20O4/c29-27(30)23-15-11-21(12-16-23)25(19-7-3-1-4-8-19)26(20-9-5-2-6-10-20)22-13-17-24(18-14-22)28(31)32/h1-18H,(H,29,30)(H,31,32)/b26-25+

InChIKey

MTTUYJXPONEHGK-OCEACIFDSA-N

LogP

6.090400000000006

Topological Polar Surface Area

74.6 Å²

Hydrogen Bond Donor/Acceptor

2 / 4

Complexity

610

Synonyms & References

English

1,2-Di(4-carboxyphenyl)-1,2,2-triphenylethene
TPE-CA
1,2-Di(4-carboxyphenyl)-1,2-diphenylethylene
4,4'-(1,2-Diphenylethene-1,2-diyl)dibenzoic acid
1,2-二(4-羧基苯)-1,2-二苯乙烯
H2BCTPE

MDL Number

MFCD28901374

FAQ

What are the physical and chemical properties of 4,4'-[(E)-1,2-Diphenyl-1,2-ethenediyl]dibenzoic acid (CAS: 1002339-79-8)?

4,4'-[(E)-1,2-Diphenyl-1,2-ethenediyl]dibenzoic acid, also known as diphenyl vinyl dibenzoate (CAS: 1002339-79-8), is a crystalline compound with a high melting point of around 280°C. Its molecular weight is approximately 458.4 g/mol. The compound is moderately soluble in polar organic solvents like dimethyl sulfoxide (DMSO) and ethyl acetate. Chemically, it shows a high reactivity towards nucleophiles and electrophiles due to its aromatic nature and the presence of electron-withdrawing groups.

How is 4,4'-[(E)-1,2-Diphenyl-1,2-ethenediyl]dibenzoic acid (CAS: 1002339-79-8) typically synthesized?

4,4'-[(E)-1,2-Diphenyl-1,2-ethenediyl]dibenzoic acid is typically synthesized via a two-step process. First, diphenylacetylene is reacted with phthalic anhydride under controlled conditions to form the intermediate. Then, the intermediate is oxidized to yield the final product. This synthesis involves the use of various reagents and catalysts, and the process requires precise temperature and pressure control to achieve high yield and selectivity.

What industries use 4,4'-[(E)-1,2-Diphenyl-1,2-ethenediyl]dibenzoic acid (CAS: 1002339-79-8)?

4,4'-[(E)-1,2-Diphenyl-1,2-ethenediyl]dibenzoic acid (CAS: 1002339-79-8) finds applications in various industries. It is used in pharmaceuticals for the synthesis of certain drugs, in polymers as a monomer or additive, in sensors for its ability to interact with specific analytes, and in semiconductors for its use as a dopant material. Additionally, it has potential uses in organic electronics and as a molecule for studying chemical reactivity.

What precautions should be taken when handling 4,4'-[(E)-1,2-Diphenyl-1,2-ethenediyl]dibenzoic acid (CAS: 1002339-79-8)?

When handling 4,4'-[(E)-1,2-Diphenyl-1,2-ethenediyl]dibenzoic acid (CAS: 1002339-79-8), it is important to use appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize inhalation of vapors. Spills should be cleaned up using appropriate absorbent materials, and the area should be thoroughly washed down. Always refer to the Material Safety Data Sheet (MSDS) for specific safety guidelines and emergency procedures.