CAS 78092-53-2

tert-Butylcalix[6]arene

Description:

Tert-Butylcalix[6]arene is a synthetic macrocyclic compound belonging to the calixarene family, characterized by its unique cyclic structure composed of six phenolic units linked by methylene bridges. The presence of tert-butyl groups at the upper rim enhances its solubility in organic solvents and contributes to its hydrophobic properties. This compound exhibits a cup-like conformation, which allows it to act as a host molecule, capable of selectively binding various guest species, including cations and neutral molecules. Its ability to form inclusion complexes makes it valuable in applications such as molecular recognition, drug delivery, and sensor technology. Additionally, tert-butylcalix[6]arene can participate in various chemical reactions, including functionalization and polymerization, further expanding its utility in supramolecular chemistry. The compound's stability and versatility are influenced by its structural features, making it a subject of interest in both academic research and industrial applications. Overall, tert-butylcalix[6]arene exemplifies the fascinating properties of calixarene derivatives in the field of supramolecular chemistry.

Formula: C₆₆H₈₄O₆

InChI: InChI=1S/C66H84O6/c1-61(2,3)49-25-37-19-39-27-50(62(4,5)6)29-41(56(39)68)21-43-31-52(64(10,11)12)33-45(58(43)70)23-47-35-54(66(16,17)18)36-48(60(47)72)24-46-34-53(65(13,14)15)32-44(59(46)71)22-42-30-51(63(7,8)9)28-40(57(42)69)20-38(26-49)55(37)67/h25-36,67-72H,19-24H2,1-18H3

InChI key: InChIKey=UOEYZAXKBKAKRO-UHFFFAOYSA-N

SMILES: OC=1C=2CC=3C(O)=C(CC=4C(O)=C(CC=5C(O)=C(CC6=C(O)C(CC7=C(O)C(CC1C=C(C(C)(C)C)C2)=CC(C(C)(C)C)=C7)=CC(C(C)(C)C)=C6)C=C(C(C)(C)C)C5)C=C(C(C)(C)C)C4)C=C(C(C)(C)C)C3

Synonyms:

• 5,11,17,23,29,35-Hexa-tert-butyl-37,38,39,40,41,42-hexahydroxycalix[6]arene
• 5,11,17,23,29,35-Hexa-tert-butylheptacyclo[31.3.1.1~3,7~.1~9,13~.1~15,19~.1~21,25~.1~27,31~]dotetraconta-1(37),3(42),4,6,9(41),10,12,15(40),16,18,21(39),22,24,27(38),28,30,33,35-octadecaene-37,38,39,40,41,42-hexol
• 5,11,17,23,29,35-Hexakis(1,1-dimethylethyl)heptacyclo[31.3.1.1^3,7.1^9,13.1^15,19.1^21,25.1^27,31]dotetraconta-1(37),3,5,7(42),9,11,13(41),15,17,19(40),21,23,25(39),27,29,31(38),33,35-octadecaene-37,38,39,40,41,42-hexol
• Calx-B 6
• Heptacyclo[31.3.1.1^3,7.1^9,13.1^15,19.1^21,25.1^27,31]dotetraconta-1(37),3,5,7(42),9,11,13(41),15,17,19(40),21,23,25(39),27,29,31(38),33,35-octadecaene-37,38,39,40,41,42-hexol, 5,11,17,23,29,35-hexakis(1,1-dimethylethyl)-
• Heptacyclo[31.3.1.1~3,7~.1~9,13~.1~15,19~.1~21,25~.1~27,31~]Dotetraconta-1(37),3,5,7(42),9,11,13(41),15,17,19(40),21,23,25(39),27,29,31(38),33,35-Octadecaene-37,38,39,40,41,42-Hexol, 5,11,17,23,29,35-Hexakis(1,1-Dimethylethyl)-
• NSC 344029
• p-t-Butylcalix[6]arene
• p-tert-Butylcalix[6]arene
• tert-Butylcalix[6]arene
• 4-tert-Butylcalix[6]arene
• Heptacyclo[31.3.1.13,7.19,13.115,19.121,25.127,31]dotetraconta-1(37),3,5,7(42),9,11,13(41),15,17,19(40),21,23,25(39),27,29,31(38),33,35-octadecaene-37,38,39,40,41,42-hexol, 5,11,17,23,29,35-hexakis(1,1-dimethylethyl)-

4-tert-Butylcalix[6]arene

CAS: 78092-53-2

Formula: C₆₆H₈₄O₆

Purity: min. 98.0 area%(Excluding toluene)(HPLC)

Color and Shape: White to Almost white powder to crystal

Molecular weight: 973.39

Ref: 3B-B5375

4-tert-Butylcalix[6]arene, 96%

CAS: 78092-53-2

This Thermo Scientific Chemicals brand product was originally part of the Alfa Aesar product portfolio. Some documentation and label information may refer to the legacy brand. The original Alfa Aesar product / item code or SKU reference has not changed as a part of the brand transition to Thermo Sci

Formula: C₆₆H₈₄O₆

Purity: 96%

Color and Shape: White, Powder

Molecular weight: 973.39

Ref: 02-L14473

4-tert-Butylcalix[6]arene

CAS: 78092-53-2

Formula: C₆₆H₈₄O₆

Purity: 96%

Color and Shape: Solid

Molecular weight: 973.3696

Ref: IN-DA003M1W

4-Tert-Butylcalix[6]Arene

CAS: 78092-53-2

4-Tert-Butylcalix[6]Arene

Purity: 98%

Molecular weight: 973.37g/mol

Ref: 54-OR1011675

4-tert-Butylcalix[6]arene

CAS: 78092-53-2

4-tert-Butylcalix[6]arene is a cyanate molecule with a supramolecular structure. It contains functional groups such as diphenyl ether, caffeine, and bromophenol. The neutral pH of 4-tert-butylcalix[6]arene makes it suitable for use in various applications. This molecule has binding constants to chloride ions, which are used for the detection and treatment of metal ions in water. The structural formula of the molecule is shown below:

Formula: C₆₆H₈₄O₆

Purity: Min. 95%

Color and Shape: Powder

Molecular weight: 973.37 g/mol

Ref: 3D-FB09799