Calix[4]arene

Base Information

• Chemical Name: Calix[4]arene
• CAS No.: 74568-07-3
• Molecular Formula: C₂₈H₂₄O₄
• Molecular Weight: 424.496
• Hs Code.: 29072990
• European Community (EC) Number: 616-117-0
• DSSTox Substance ID: DTXSID20340197
• Nikkaji Number: J403.431G
• Wikidata: Q72514993
• Mol file: 74568-07-3.mol

Synonyms:calix(4)arene;p-sulphonatocalix(4)arene

Chemical Property of Calix[4]arene

Chemical Property:

• Vapor Pressure: 6.43E-15mmHg at 25°C
• Melting Point: 310-314 °C
• Refractive Index: 1.688
• Boiling Point: 598.5 °C at 760 mmHg
• PKA: 9.38±0.20(Predicted)
• Flash Point: 264.9 °C
• PSA: 80.92000
• Density: 1.302 g/cm³
• LogP: 5.18560
• Solubility.: Soluble in chloroform.
• XLogP3: 6.3
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 424.16745924
• Heavy Atom Count: 32
• Complexity: 466

Purity/Quality:

99% ^*data from raw suppliers

Calix[4]arene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36-37/39-37

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2=C(C(=CC=C2)CC3=C(C(=CC=C3)CC4=CC=CC(=C4O)CC5=CC=CC1=C5O)O)O
• Uses: Functionalized calix[4]arenes can bind DNA and induce cell transfection. Calixarenes lend themselves well to many applications because of the multiplicity of options for such structural elaboration such as in electrochemical sensors, optical sensors, chiral recognition devices,

Technology Process of Calix[4]arene

There total 18 articles about Calix[4]arene 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: 95.0%

5,11,17,23-tetra-t-butyl-25,26,27,28-tetrahydroxycalix-4-arene (157432-87-6,288302-11-4,288302-12-5,60705-62-6) → 25,26,27,28-tetrakis(hydroxy)calix[4]arene (248590-47-8,74568-07-3)

Guidance literature:

With Aluminum Chloride; phenol; In toluene; at 20 ℃; for 3h; Inert atmosphere;

Reference yield: 77.0%

2,6-bis(hydroxymethyl)phenol (2937-59-9) + 2,6-Bis-(2-hydroxy-benzyl)-phenol (2677-32-9) → 25,26,27,28-tetrakis(hydroxy)calix[4]arene (248590-47-8,74568-07-3)

Guidance literature:

With sulfonated multi-walled carbon nanotubes; In neat (no solvent); at 110 ℃; for 2h;

DOI:10.1039/c5nj03136b

Reference yield: 60.0%

5,11,17,23-tetra-t-butyl-25,26,27,28-tetrahydroxycalix-4-arene (157432-87-6,288302-11-4,288302-12-5,60705-62-6) → 2,7-dimethylanthracene (782-23-0) + 2,6-dimethylanthracene (613-26-3) + 25,26,27,28-tetrakis(hydroxy)calix[4]arene (248590-47-8,74568-07-3)

Guidance literature:

With aluminium trichloride; In toluene; for 5h; Mechanism; Ambient temperature; var. amount of AlCl₃;

upstream raw materials:

5,11,17,23-tetra-t-butyl-25,26,27,28-tetrahydroxycalix-4-arene

phenol

25,26,27,28-O-tetraacetylcalix[4]arene

25,26,27,28-tetrabenzoyloxycalix[4]arene 1,3-alternate conformer

Downstream raw materials:

5,11,17,23-tetrakis(chloromethyl)pentacyclo[19.3.1.1(3,7).1(9,13).1(15,19)]octacosa-1⁽²⁵⁾,3⁽²⁸⁾,4,6,9⁽²⁷⁾,10,12,15⁽²⁶⁾,16,18,21,23-dodecaene-25,26,27,28-tetrol

C₃₄H₂₇ClN₂O₄

C₄₀H₃₀Cl₂N₄O₄

C₄₀H₃₀Cl₂N₄O₄

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