4-tert-Butylcalix[4]arene tribenzoate

Base Information

Chemical Name:4-tert-Butylcalix[4]arene tribenzoate
CAS No.:135549-06-3
Molecular Formula:C₆₅H₆₈O₇
Molecular Weight:961.251
Hs Code.:
DSSTox Substance ID:DTXSID50408779
Nikkaji Number:J605.339D
Wikidata:Q82214374
Mol file:135549-06-3.mol

Synonyms:4-tert-Butylcalix[4]arene tribenzoate;135549-06-3;AGN-PC-0LNG8C;DTXSID50408779;AKOS026705812;F1170-0211;(26,27-Dibenzoyloxy-5,11,17,23-tetratert-butyl-28-hydroxy-25-pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(25),3,5,7(28),9(27),10,12,15(26),16,18,21,23-dodecaenyl) benzoate;15,35,55,75-Tetra-tert-butyl-72-hydroxy-1,3,5,7(1,3)-tetrabenzenacyclooctaphane-12,32,52-triyl tribenzoate stereoisomer;26,27-bis(benzoyloxy)-5,11,17,23-tetra-tert-butyl-28-hydroxypentacyclo[19.3.1.1?,?.1?,??.1??,??]octacosa-1(25),3(28),4,6,9,11,13(27),15,17,19(26),21,23-dodecaen-25-yl benzoate

Suppliers and Price of 4-tert-Butylcalix[4]arene tribenzoate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 4 raw suppliers

Chemical Property of 4-tert-Butylcalix[4]arene tribenzoate

Chemical Property:

Vapor Pressure:0mmHg at 25°C
Melting Point:≥300 °C
Refractive Index:1.592
Boiling Point:1003.6°Cat760mmHg
Flash Point:273.7°C
PSA：99.13000
Density:1.134g/cm³
LogP:14.91640
XLogP3:18.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:13
Exact Mass:960.49650450
Heavy Atom Count:72
Complexity:1680

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:
Safety Statements: 22-24/25

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(C)(C)C1=CC2=C(C(=C1)CC3=CC(=CC(=C3OC(=O)C4=CC=CC=C4)CC5=CC(=CC(=C5OC(=O)C6=CC=CC=C6)CC7=C(C(=CC(=C7)C(C)(C)C)C2)O)C(C)(C)C)C(C)(C)C)OC(=O)C8=CC=CC=C8

Technology Process of 4-tert-Butylcalix[4]arene tribenzoate

There total 2 articles about 4-tert-Butylcalix[4]arene tribenzoate 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: 84.0%

: 157432-87-6,288302-11-4,288302-12-5,60705-62-6
5,11,17,23-tetra-t-butyl-25,26,27,28-tetrahydroxycalix-4-arene

: 98-88-4
benzoyl chloride

: 135549-06-3,135636-68-9,161441-90-3
28-hydroxy-5,11,17,23-tetra-tert-butyl-25,26,27-tri-(benzoyloxy)calix<4>arene

Guidance literature:: With pyridine; at 20 ℃; for 72h;
DOI:10.1021/jo035150h

Reference yield:

: 157432-87-6,288302-11-4,288302-12-5,60705-62-6
5,11,17,23-tetra-t-butyl-25,26,27,28-tetrahydroxycalix-4-arene

: 98-88-4
benzoyl chloride

: 113884-57-4,133908-46-0
5,11,17,23-tetra-tert-butyl-25,26,27,28-tetra-(benzoyloxy)calix<4>arene

: 135549-06-3,135636-68-9,161441-90-3
28-hydroxy-5,11,17,23-tetra-tert-butyl-25,26,27-tri-(benzoyloxy)calix<4>arene

: 161316-47-8
5,11,17,23-tetra-tert-butyl-25,27-dibenzoyloxy-26,28-dihydroxycalix<4>arene

Guidance literature:: With 1-methyl-1H-imidazole; Product distribution; multistep reaction: 1.) MeCN, 5-10 min and 20 min, in ice bath, 2.) MeCN, in ice bath and room t.; reactions of derivatives with aroyl and acyl chlorides under var. conditions;
DOI:10.1055/s-1994-25581