4-tert-Butylcalix(8)arene-octaacetic acid octaethyl ester

Base Information

• Chemical Name: 4-tert-Butylcalix(8)arene-octaacetic acid octaethyl ester
• CAS No.: 92003-63-9
• Molecular Formula: C₁₂₀H₁₆₀O₂₄
• Molecular Weight: 1986.58
• Nikkaji Number: J447.825H
• Mol file: 92003-63-9.mol

Synonyms:92003-63-9;4-tert-Butylcalix(8)arene-octaacetic acid octaethyl ester;Octaethyl 2,2',2'',2''',2'''',2''''',2'''''',2'''''''-((15,35,55,75,95,115,135,155-octa-tert-butyl-1,3,5,7,9,11,13,15(1,3)-octabenzenacyclohexadecaphane-12,32,52,72,92,112,132,152-octayl)octakis(oxy))octaacetate

Chemical Property of 4-tert-Butylcalix(8)arene-octaacetic acid octaethyl ester

Chemical Property:

• Melting Point: 228-230 °C
• PSA: 284.24000
• Density: 1.095±0.06 g/cm3(Predicted)
• LogP: 22.64160
• XLogP3: 30.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 24
• Rotatable Bond Count: 48
• Exact Mass: 1986.13331080
• Heavy Atom Count: 144
• Complexity: 3090

Purity/Quality:

≥99% ^*data from raw suppliers

4-TERT-BUTYLCALIX(8)ARENE-OCTAACETIC ACID OCTAETHYL ESTER 95.00% ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC(=O)COC1=C2CC3=CC(=CC(=C3OCC(=O)OCC)CC4=CC(=CC(=C4OCC(=O)OCC)CC5=CC(=CC(=C5OCC(=O)OCC)CC6=C(C(=CC(=C6)C(C)(C)C)CC7=C(C(=CC(=C7)C(C)(C)C)CC8=C(C(=CC(=C8)C(C)(C)C)CC9=C(C(=CC(=C9)C(C)(C)C)CC1=CC(=C2)C(C)(C)C)OCC(=O)OCC)OCC(=O)OCC)OCC(=O)OCC)OCC(=O)OCC)C(C)(C)C)C(C)(C)C)C(C)(C)C

Technology Process of 4-tert-Butylcalix(8)arene-octaacetic acid octaethyl ester

There total 2 articles about 4-tert-Butylcalix(8)arene-octaacetic acid octaethyl ester 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: 89.0%

5,11,17,23,29,35,41,47-octakis(tert-butyl)-49,50,51,52,53,54,55,56-octakis(hydroxy)calix[8]arene (68971-82-4,106750-70-3,78092-52-1) + ethyl bromoacetate (105-36-2) → 5,11,17,23,29,35,41,47-Octa-tert-butyl-49,50,51,52,53,54,55,56-octaethoxycarbonylmethyleneoxycalix[8]arene (92003-63-9)

Guidance literature:

With potassium carbonate; In acetone; for 120h; Heating;

DOI:10.1021/ja00205a018

Reference yield:

5,11,17,23,29,35,41,47-octakis(tert-butyl)-49,50,51,52,53,54,55,56-octakis(hydroxy)calix[8]arene (68971-82-4,106750-70-3,78092-52-1) + chloroacetic acid ethyl ester (105-39-5) → 5,11,17,23,29,35,41,47-Octa-tert-butyl-49,50,51,52,53,54,55,56-octaethoxycarbonylmethyleneoxycalix[8]arene (92003-63-9)

Guidance literature:

With potassium carbonate; potassium iodide; In acetone;

DOI:10.1179/174329306X77894

upstream raw materials:

5,11,17,23,29,35,41,47-octakis(tert-butyl)-49,50,51,52,53,54,55,56-octakis(hydroxy)calix[8]arene

ethyl bromoacetate

chloroacetic acid ethyl ester

Refernces

• 1、 An, Lin,Cai, Ya Hua,Wang, Min-Hua,Yan, Chao Guo. "Novel synthesis of calix[n]arene amidoazobenzene derivatives". . p. 75 - 77. Retrieved 2007/10/03.
• 2、 Chang, Suk-Kyu,Cho, Iwhan. "New Metal Cation-Selective Ionophores Derived from Calixarenes: Their Syntheses and Ion-Binding Properties". . p. 211 - 214. Retrieved 2007/10/02.