Cas no 82452-93-5 (Calix8arene)

Calix[8]arene is a macrocyclic oligomer composed of eight phenolic units linked by methylene bridges, forming a versatile three-dimensional cavity. Its large ring structure enables exceptional host-guest interactions, making it valuable in molecular recognition, supramolecular chemistry, and sensor applications. The compound exhibits high binding affinity for larger guest molecules due to its expanded cavity size compared to smaller calixarenes. Its tunable functionalization at the upper and lower rims allows for tailored selectivity and solubility. Calix[8]arene is also explored in catalysis, nanotechnology, and drug delivery systems due to its structural flexibility and ability to form stable complexes with metals or organic species.
Calix8arene structure
Calix8arene structure
Product Name:Calix8arene
CAS No:82452-93-5
MF:C56H48O8
MW:848.975536346436
MDL:MFCD00143914
CID:90828
PubChem ID:24885878
Update Time:2025-05-22

Calix8arene Chemical and Physical Properties

Names and Identifiers

    • Calix[8]arene
    • 49,50,51,52,53,54,55,56-octahydroxycalix[8]-arene
    • 49,50,51,52,53,54,55,56-octakis(hydroxy)calix[8]arene
    • Octahydroxycalix[8]arene
    • para-H-calix[8]arene
    • p-H-calix[8]arene
    • Calix[8]areneoctol
    • LS-15511
    • Calix(8)arene
    • J-700386
    • ethyl-5-nitro-1h-indole-carboxylate
    • DTXSID40369269
    • AKOS015916149
    • D89405
    • 82452-93-5
    • CS-0368208
    • W-203872
    • MFCD00143914
    • FT-0623425
    • Calix[8]arene, technical, >=90% (CH)
    • SCHEMBL12168748
    • nonacyclo[43.3.1.13,7.19,13.115,19.121,25.127,31.133,37.139,43]hexapentaconta-1(49),3(56),4,6,9(55),10,12,15(54),16,18,21(53),22,24,27,29,31(52),33,35,37(51),39,41,43(50),45,47-tetracosaene-49,50,51,52,53,54,55,56-octol
    • NONACYCLO[43.3.1.1(3),?.1?,(1)(3).1(1)?,(1)?.1(2)(1),(2)?.1(2)?,(3)(1).1(3)(3),(3)?.1(3)?,?(3)]HEXAPENTACONTA-1(49),3,5,7(56),9,11,13(55),15,17,19(54),21(53),22,24,27(52),28,30,33(51),34,36,39(50),40,42,45,47-TETRACOSAEN-49,50,51,52,53,54,55,56-OCTOL
    • Calix8arene
    • MDL： MFCD00143914
    • Inchi： 1S/C56H48O8/c57-49-33-9-1-10-34(49)26-36-12-3-14-38(51(36)59)28-40-16-5-18-42(53(40)61)30-44-20-7-22-46(55(44)63)32-48-24-8-23-47(56(48)64)31-45-21-6-19-43(54(45)62)29-41-17-4-15-39(52(41)60)27-37-13-2-11-35(25-33)50(37)58/h1-24,57-64H,25-32H2
    • InChI Key： HDPRHRZFFPXZIL-UHFFFAOYSA-N
    • SMILES： OC1C2CC3C(O)=C(CC4C(O)=C(CC5C(O)=C(CC6C(O)=C(CC7C(O)=C(CC8C(O)=C(CC9C(O)=C(CC=1C=CC=2)C=CC=9)C=CC=8)C=CC=7)C=CC=6)C=CC=5)C=CC=4)C=CC=3

Computed Properties

  • Exact Mass: 848.33500
  • Monoisotopic Mass: 848.335
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 8
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 64
  • Rotatable Bond Count: 0
  • Complexity: 1040
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 12.5
  • Topological Polar Surface Area: 162A^2

Experimental Properties

  • Color/Form: Cream or light brown or light yellow powder
  • Density: 1.302±0.06 g/cm3 (20 oC 760 Torr),
  • Melting Point: >450 oC
  • Boiling Point: 757.04°C (rough estimate)
  • Refractive Index: 1.6000 (estimate)
  • Solubility: Insuluble (5.8E-6 g/L) (25 oC),
  • Water Partition Coefficient: Sparingly soluble in water (5.8E-6 g/L) (25°C).
  • PSA: 161.84000
  • LogP: 10.37120
  • Solubility: Not determined

Calix8arene Security Information

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Calix8arene Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Phenol Catalysts: Aluminum chloride Solvents: Toluene
Reference
Convenient one pot procedure for synthesis of formylated calix[n]arenes
Chawla, H. M.; et al, Synthetic Communications, 2001, 31(17), 2605-2611

Production Method 2

Reaction Conditions
1.1 Reagents: Formamide, N,N-dimethyl-, compd. with iron chloride (FeCl3) (6:1) Solvents: Dimethylformamide ;  1 h, 60 °C
Reference
Structural analysis of calix[n]arene-iron(III) complexes (n = 4, 6, 8) and thermal decomposition of the parent calix[n]arenes
Deligoz, Hasalettin; et al, Journal of Coordination Chemistry, 2007, 60(1), 73-83

Production Method 3

Reaction Conditions
1.1 Reagents: Phenol Solvents: Toluene ;  2 min, heated
1.2 Reagents: Aluminum chloride ;  20 min
Reference
Efficient synthesis of p-sulfonic acid calixarene under ultrasonic irradiation
An, Lin; et al, Huaxue Shiji, 2014, 36(8), 755-757

Production Method 4

Reaction Conditions
1.1 Solvents: Xylene ;  4 h, 120 °C
Reference
Spectral investigations on 2,3-bis(chloromethyl)-1,4-anthraquinone: solvent effects and host-guest interactions
Umadevi, M.; et al, Journal of Fluorescence, 2006, 16(4), 569-579

Production Method 5

Reaction Conditions
1.1 Reagents: Sodium hydroxide
2.1 Reagents: Phenol Catalysts: Aluminum chloride Solvents: Toluene ;  1 h, rt
Reference
Features of solution behavior of polymer stars with arms of poly-2-alkyl-2-oxazolines copolymers grafted to upper rim of calix[8]arene
Kirila, Tatyana ; et al, Polymers (Basel, 2021, 13(15),

Production Method 6

Reaction Conditions
1.1 Reagents: Sodium hydroxide Solvents: o-Xylene ,  Water ;  4 h, reflux
2.1 Reagents: Phenol ,  Aluminum chloride Solvents: Toluene ;  1 h, rt
Reference
Star Poly(2-alkyl-2-oxazolines) Based on Octa-(chlorosulfonyl)-calix[8]arene
Blokhin, A. N.; et al, Polymer Science, 2018, 60(3), 307-316

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Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
(CAS:82452-93-5)Calix8arene
Order Number:A1211823
Stock Status:in Stock
Quantity:25g
Purity:99%
Pricing Information Last Updated:Monday, 2 September 2024 15:59
Price ($):683.0

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Amadis Chemical Company Limited
(CAS:82452-93-5)Calix8arene
A1211823
Purity:99%
Quantity:25g
Price ($):683.0
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