4,4'-Stilbenedicarboxylic acid

Base Information

• Chemical Name: 4,4'-Stilbenedicarboxylic acid
• CAS No.: 100-31-2
• Molecular Formula: C16H12O4
• Molecular Weight: 268.269
• Hs Code.: 2917399090
• European Community (EC) Number: 202-838-4
• NSC Number: 40932
• Nikkaji Number: J39.730J,J673.570C
• Wikidata: Q76305717
• Mol file: 100-31-2.mol

Synonyms:4,4'-stilbenedicarboxylic acid

Chemical Property of 4,4'-Stilbenedicarboxylic acid

Chemical Property:

• Appearance/Colour: white powder
• Melting Point: >300 °C
• Boiling Point: 518.5oC at 760 mmHg
• PKA: 3.96±0.10(Predicted)
• PSA: 74.60000
• Density: 1.356g/cm3
• LogP: 3.25340
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 268.07355886
• Heavy Atom Count: 20
• Complexity: 336

Purity/Quality:

99% ^*data from raw suppliers

4,4′-Stilbenedicarboxylic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 36/37/38-52-38-37-36-22
• Safety Statements: 26-37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C=CC2=CC=C(C=C2)C(=O)O)C(=O)O
• Isomeric SMILES: C1=CC(=CC=C1/C=C/C2=CC=C(C=C2)C(=O)O)C(=O)O
• Uses: SDA can be used in the hydrothermal synthesis of three-dimensional (3D) metal-organic frameworks, which have potential usage in sensing, drug delivery, luminescence, and gas adsorption. It may also be used in energy storage applications such as supercapacitors and batteries.

Technology Process of 4,4'-Stilbenedicarboxylic acid

There total 17 articles about 4,4'-Stilbenedicarboxylic acid 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: 92.0%

trans-4,4'-dimethyl 4,4'-dicarboxylate-1,2-diphenylethylene (34541-73-6,143130-82-9) → Stilbene-4,4'-dicarboxylic acid (100-31-2,133005-88-6,74299-91-5)

Guidance literature:

With potassium hydroxide; In ethanol; water; Reflux;

DOI:10.1021/la501999g

Reference yield: 80.0%

Triethoxyvinylsilane (78-08-0) + 4-Bromobenzoic acid (586-76-5) → Stilbene-4,4'-dicarboxylic acid (100-31-2,133005-88-6,74299-91-5) + 1,1-bis[4-carboxyphenyl]ethene (83210-85-9)

Guidance literature:

With sodium hydroxide; poly(ethylene glycol) 2000; palladium diacetate; In water; at 140 ℃; for 5h;

DOI:10.1039/b707583a

Reference yield: 80.0%

Triethoxyvinylsilane (78-08-0) + 4-Bromobenzoic acid (586-76-5) → Stilbene-4,4'-dicarboxylic acid (100-31-2,133005-88-6,74299-91-5)

Guidance literature:

Triethoxyvinylsilane; With sodium hydroxide; In water; at 20 ℃; for 0.0833333h; Sealed tube;

4-Bromobenzoic acid; With palladium diacetate; In water; at 120 - 140 ℃; Sealed tube;

DOI:10.1021/ja404255u

upstream raw materials:

4-Bromobenzoic acid

4-ethenylbenzoic acid

para-xylene

(E)-4,4'-dicyanostilbene

Downstream raw materials:

trans-4,4'-dimethyl 4,4'-dicarboxylate-1,2-diphenylethylene

4,4'-stilbenedicarbonyl dichloride

C₁₆H₁₀O₄^(2-)*C₁₂H₃₀N₂⁽²⁺⁾

trans-4,4'-N,N-dimethylstilbenedicarboxamide