Calix[5]arene

Base Information

• Chemical Name: Calix[5]arene
• CAS No.: 83933-03-3
• Molecular Formula: C35H30 O5
• Molecular Weight: 530.61
• Hs Code.: 29071990
• European Community (EC) Number: 695-303-3
• DSSTox Substance ID: DTXSID20369363
• Nikkaji Number: J689.461E
• Wikidata: Q82156411
• Mol file: 83933-03-3.mol

Synonyms:CALIX[5]ARENE;83933-03-3;Calix(5)arene;Hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(31),3,5,7(35),9,11,13(34),15,17,19(33),21,23,25(32),27,29-pentadecaene-31,32,33,34,35-pentol;hexacyclo[25.3.1.13,7.19,13.115,19.121,25]pentatriaconta-1(31),3(35),4,6,9(34),10,12,15(33),16,18,21,23,25(32),27,29-pentadecaene-31,32,33,34,35-pentol;DTXSID20369363;AKOS025213810;Hexacyclo[25.3.1.1~3,7~.1~9,13~.1~15,19~.1~21,25~]pentatriaconta-1(31),3(35),4,6,9(34),10,12,15(33),16,18,21(32),22,24,27,29-pentadecaene-31,32,33,34,35-pentol

Chemical Property of Calix[5]arene

Chemical Property:

• Vapor Pressure: 3.6E-20mmHg at 25°C
• Melting Point: 292 °C
• Refractive Index: 1.688
• Boiling Point: 698.7°C at 760 mmHg
• PKA: 9.28±0.20(Predicted)
• Flash Point: 294.4°C
• PSA: 101.15000
• Density: 1.302g/cm³
• LogP: 6.48200
• XLogP3: 7.8
• Hydrogen Bond Donor Count: 5
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 0
• Exact Mass: 530.20932405
• Heavy Atom Count: 40
• Complexity: 604

Purity/Quality:

98%Min ^*data from raw suppliers

CALIX[5]ARENE 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: C1C2=C(C(=CC=C2)CC3=C(C(=CC=C3)CC4=C(C(=CC=C4)CC5=CC=CC(=C5O)CC6=CC=CC1=C6O)O)O)O

Technology Process of Calix[5]arene

There total 3 articles about Calix[5]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: 80.0%

p-tert-Butylcalix[5]arene (81475-22-1) → calix[5]arene (83933-03-3)

Guidance literature:

With aluminium trichloride; In toluene; for 12h; Ambient temperature;

DOI:10.1021/jo9713114

Reference yield:

para-tert-butylphenol (98-54-4) → calix[5]arene (83933-03-3)

Guidance literature:

Multi-step reaction with 2 steps

1: 6.1 percent / t-BuOK / 1,2,3,4-tetrahydro-naphthalene / 55 deg C, 6 h; 150 deg C, 6 h

2: 49 percent / AlCl₃, phenol / toluene / 3 h / Ambient temperature

With aluminium trichloride; potassium tert-butylate; phenol; In tetralin; toluene;

DOI:10.1021/ja00203a020

Reference yield:

formaldehyd (50-00-0,30525-89-4,61233-19-0) + tert-octylphenol (140-66-9) → calix[5]arene (83933-03-3)

Guidance literature:

With aluminium trichloride; Yield given; 2) toluene, 2 h;

upstream raw materials:

formaldehyd

tert-octylphenol

p-tert-Butylcalix[5]arene

para-tert-butylphenol

Downstream raw materials:

1,2-dicarbadodecaborane⁽¹²⁾-calix[5]arene*toluene