Calix[6]arene

Base Information

• Chemical Name: Calix[6]arene
• CAS No.: 96107-95-8
• Molecular Formula: C42H36O6
• Molecular Weight: 636.744
• European Community (EC) Number: 677-490-3
• DSSTox Substance ID: DTXSID80369268
• Nikkaji Number: J1.004.055H
• Wikidata: Q72514987
• Mol file: 96107-95-8.mol

Synonyms:calix(6)arene;copper(I) calix(6)arene;p-sulfonatocalix(6)arene

Chemical Property of Calix[6]arene

Chemical Property:

• Appearance/Colour: White to beige powder
• Vapor Pressure: 7.9E-26mmHg at 25°C
• Melting Point: 395 °C(lit.)
• Refractive Index: 1.688
• Boiling Point: 788.8 °C at 760 mmHg
• PKA: 9.20±0.20(Predicted)
• Flash Point: 316.8 °C
• PSA: 121.38000
• Density: 1.302 g/cm³
• LogP: 7.77840
• Water Solubility.: 0.180g/100g of water @ 25°C. Miscible with alcohol, chloroform, ether, carbon disulfide, acetone, oils, carbon tetrachloride and glacial acetic acid.
• XLogP3: 9.4
• Hydrogen Bond Donor Count: 6
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 636.25118886
• Heavy Atom Count: 48
• Complexity: 745

Purity/Quality:

98%,99%, ^*data from raw suppliers

Calix[6]arene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C2=C(C(=CC=C2)CC3=C(C(=CC=C3)CC4=C(C(=CC=C4)CC5=CC=CC(=C5O)CC6=CC=CC(=C6O)CC7=CC=CC1=C7O)O)O)O
• Uses: It is used as a starting material for preparing functionalized calixarenes. It finds its uses as a pharmaceutical intermediate. It is also used in complexation and organic synthesis.

Technology Process of Calix[6]arene

There total 5 articles about Calix[6]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: 96.0%

allyl bromide (106-95-6) + C48H44O6 → calix[6]arene (96107-95-8)

Guidance literature:

With potassium trimethylsilonate;

DOI:10.1021/ja991810h

Reference yield: 89.0%

5,11,17,23,29,35-hexakis(tert-butyl)-37,38,39,40,41-hexakis(hydroxy)calix[6]arene (189832-67-5,78092-53-2) → calix[6]arene (96107-95-8)

Guidance literature:

With aluminium trichloride; phenol; In toluene; for 1h; Ambient temperature;

DOI:10.1016/S0040-4020(01)87580-3

Reference yield: 45.0%

37,38,39,40,41,42-hexabenzoyloxy[6]arene (106750-72-5) → 4-Methylbenzophenone (134-84-9) + calix[6]arene (96107-95-8)

Guidance literature:

With aluminium trichloride; In toluene; at 70 ℃;

upstream raw materials:

5,11,17,23,29,35-hexakis(tert-butyl)-37,38,39,40,41-hexakis(hydroxy)calix[6]arene

37,38,39,40,41,42-hexaacetoxycalix[6]arene

37,38,39,40,41,42-hexabenzoyloxy[6]arene

allyl bromide

Downstream raw materials:

37,38,39,40,41,42-hexabutoxycalix<6>arene

37,38,39,40,41,42-hexaethoxycalix{6}arene

hexa-p-dodecanoyl-calix[6]arene

37,38,39,40,41,42-hexa-n-octyloxycalix{6}arene

Refernces

• 1、 De Assis,Abranches,Braga,Zu?iga,Sathicq,Romanelli,Sato,Fernandes. "P-Sulfonic acid calix[4]arene-functionalized alkyl-bridged organosilica in esterification reactions". . p. 24285 - 24289. Retrieved 2016/03/15.
• 2、 An, Lin,Han, Li-Li,Zheng, You-Guang,Peng, Xian-Na,Xue, Yun-Sheng,Gu, Xiao-Ke,Sun, Jing,Yan, Chao-Guo. "Synthesis, X-ray crystal structure and anti-tumor activity of calix[n]arene polyhydroxyamine derivatives". . p. 21 - 30. Retrieved 2016/08/01.