4-tert-Butylsulfonylcalix[4]arene

Base Information

• Chemical Name: 4-tert-Butylsulfonylcalix[4]arene
• CAS No.: 204190-49-8
• Molecular Formula: C40H48 O12 S4
• Molecular Weight: 849.078
• DSSTox Substance ID: DTXSID10466017
• Nikkaji Number: J1.472.235A,J977.862D
• Wikidata: Q82292378
• Mol file: 204190-49-8.mol

Synonyms:4-tert-butylsulfonylcalix(4)arene;p-tert-butylsulfonylcalix(4)arene

Chemical Property of 4-tert-Butylsulfonylcalix[4]arene

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.609
• Boiling Point: 984.468°C at 760 mmHg
• PKA: 1.72±0.20(Predicted)
• Flash Point: 549.187°C
• PSA: 251.00000
• Density: 1.372g/cm³
• LogP: 11.66680
• XLogP3: 8.4
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 12
• Rotatable Bond Count: 4
• Exact Mass: 848.20286166
• Heavy Atom Count: 56
• Complexity: 1530

Purity/Quality:

97% ^*data from raw suppliers

4-tert-Butylsulfonylcalix[4]arene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CC2=C(C(=C1)S(=O)(=O)C3=CC(=CC(=C3O)S(=O)(=O)C4=CC(=CC(=C4O)S(=O)(=O)C5=C(C(=CC(=C5)C(C)(C)C)S2(=O)=O)O)C(C)(C)C)C(C)(C)C)O
• Uses: 4-tert-Butylsulfonylcalix[4]arene (CAS# 204190-49-8) calixarene used in the preparation of coordination polymers as a support for Au/Ag nanoparticles. 4-tert-Butylsulfonylcalix[4]arene also appears in the syntheis of stimuli-responsive metal-organic supercontainers as synthetic proton receptors.

Technology Process of 4-tert-Butylsulfonylcalix[4]arene

There total 5 articles about 4-tert-Butylsulfonylcalix[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: 90.0%

tert-butylthiacalix[4]arene (182496-55-5) → p-tert-butylsulfonylcalix[4]arene (204190-49-8)

Guidance literature:

With sodium perborate; In chloroform; acetic acid; at 50 ℃; for 18h;

DOI:10.1016/S0040-4039(98)01645-1

Reference yield: 30.0%

5,11,17,23-tetrakis(1,1-dimethylethyl)-25,26,27,28-tetramethoxy-2,8,14,20-tetrathiapentacyclo[19.3.1.1(3,7).1(9,13).1(15,19)]octacosa-1(25),3,5,7(28),9,11,13(27),15,17,19(26),21,23-dodecaene-2,2,8,8,14,14,20,20-octaoxide (210550-18-8) → p-tert-butylsulfonylcalix[4]arene (204190-49-8)

Guidance literature:

With boron tribromide; In dichloromethane;

DOI:10.1039/a801860j

Reference yield:

para-tert-butylphenol (98-54-4) → TC8A-SO2 (953814-17-0) + TC6A-SO2 (445040-09-5) + p-tert-butylsulfonylcalix[4]arene (204190-49-8)

Guidance literature:

para-tert-butylphenol; With potassium hydroxide; sulfur; In Tetraethylene glycol dimethyl ether; at 130 - 180 ℃; for 6h;

With sulfuric acid; In diethyl ether; Tetraethylene glycol dimethyl ether; water; at 20 ℃;

With sulfuric acid; dihydrogen peroxide; sulfur; acetic acid; calcium oxide; more than 3 stages;

upstream raw materials:

tert-butylthiacalix[4]arene

5,11,17,23-tetrakis(1,1-dimethylethyl)-25,26,27,28-tetramethoxy-2,8,14,20-tetrathiapentacyclo[19.3.1.1(3,7).1(9,13).1(15,19)]octacosa-1⁽²⁵⁾,3,5,7⁽²⁸⁾,9,11,13⁽²⁷⁾,15,17,19⁽²⁶⁾,21,23-dodecaene-2,2,8,8,14,14,20,20-octaoxide

5,11,17,23-tetrakis(1,1-dimethylethyl)-25,26,27,28-tetramethoxy-2,8,14,20-tetrathiapentacyclo[19.3.1.1(3,7).1(9,13).1(15,19)]octacosa-1⁽²⁵⁾,3,5,7⁽²⁸⁾,9,11,13⁽²⁷⁾,15,17,19⁽²⁶⁾,21,23-dodecaene

para-tert-butylphenol

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