Benzoic acid, 4,4'-(1,4-phenylenedi-2,1-ethynediyl)bis-

Base Information

• Chemical Name: Benzoic acid, 4,4'-(1,4-phenylenedi-2,1-ethynediyl)bis-
• CAS No.: 217077-89-9
• Molecular Formula: C24H18O4
• Molecular Weight: 366.373
• Mol file: 217077-89-9.mol

Synonyms:Benzoic acid, 4,4'-(1,4-phenylenedi-2,1-ethynediyl)bis-;4,4'-[1,4-Phenylenebis(ethyne-2,1-diyl)]dibenzoic Acid

Chemical Property of Benzoic acid, 4,4'-(1,4-phenylenedi-2,1-ethynediyl)bis-

Chemical Property:

• Melting Point: >300 °C (decomp)
• Boiling Point: 617.9±50.0 °C(Predicted)
• PKA: 3.69±0.10(Predicted)
• PSA: 74.60000
• Density: 1.40±0.1 g/cm3(Predicted)
• LogP: 3.88260

Purity/Quality:

≥99% ^*data from raw suppliers

4,4'-[1,4-PHENYLENEBIS(ETHYNE-2,1-DIYL)]DIBENZOICACID 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of Benzoic acid, 4,4'-(1,4-phenylenedi-2,1-ethynediyl)bis-

There total 7 articles about Benzoic acid, 4,4'-(1,4-phenylenedi-2,1-ethynediyl)bis- which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 90.0%

4-iodobenzoic acid (619-58-9) + 1,4-diethynylbenzene (935-14-8) → 4,4′-[1,4-phenylene-bis(ethyne-2,1-diyl)]-dibenzoic acid (217077-89-9)

Guidance literature:

With bis-triphenylphosphine-palladium(II) chloride; copper(l) iodide; triphenylphosphine; triethylamine; In tetrahydrofuran; at 50 ℃;

DOI:10.1021/ja053120l

Reference yield: 89.0%

dihexyl 4,4'-[1,4-phenylenebis(ethyne-2,1-diyl)]dibenzoate (1433633-82-9) → 4,4′-[1,4-phenylene-bis(ethyne-2,1-diyl)]-dibenzoic acid (217077-89-9)

Guidance literature:

With tetra(n-butyl)ammonium hydroxide; water; In tetrahydrofuran; at 20 ℃; for 0.5h; Inert atmosphere;

DOI:10.1002/chem.201203261

Reference yield: 85.0%

dimethyl 4,4′-[1,4-phenylenebis(ethyne-2,1-diyl)]dibenzoate (848850-13-5) → 4,4′-[1,4-phenylene-bis(ethyne-2,1-diyl)]-dibenzoic acid (217077-89-9)

Guidance literature:

With potassium hydroxide; In tetrahydrofuran; methanol; water; at 20 ℃;

DOI:10.1002/asia.201500641

upstream raw materials:

dimethyl 4,4′-[1,4-phenylenebis(ethyne-2,1-diyl)]dibenzoate

4-iodobenzoic acid

1,4-diethynylbenzene

methyl 4-iodobenzoate

Downstream raw materials:

1,4-bis(2-[4-chlorocarbonylphenyl]ethynyl)benzene

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