CAS 81475-22-1

5,11,17,23,29-penta-tert-butylhexacyclo[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

Description:

5,11,17,23,29-penta-tert-butylhexacyclo[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, with CAS number 81475-22-1, is a complex organic compound characterized by its extensive polycyclic structure and multiple tert-butyl substituents. This compound features a highly branched architecture, which contributes to its steric bulk and influences its physical properties, such as solubility and melting point. The presence of multiple hydroxyl groups (pentol) indicates that it can engage in hydrogen bonding, potentially affecting its reactivity and interactions with other molecules. The intricate arrangement of cycloalkane rings and the long carbon chain suggest that it may exhibit unique optical and electronic properties, making it of interest in materials science and organic chemistry. Additionally, the compound's size and structure may lead to significant steric hindrance, impacting its chemical reactivity and potential applications in various fields, including pharmaceuticals and nanotechnology.

Formula: C₅₅H₇₀O₅

InChI: InChI=1/C55H70O5/c1-51(2,3)41-21-31-16-33-23-42(52(4,5)6)25-35(47(33)57)18-37-27-44(54(10,11)12)29-39(49(37)59)20-40-30-45(55(13,14)15)28-38(50(40)60)19-36-26-43(53(7,8)9)24-34(48(36)58)17-32(22-41)46(31)56/h21-30,56-60H,16-20H2,1-15H3

InChI key: HTJNUHSOASZVHV-UHFFFAOYSA-N

SMILES: CC(C)(C)c1cc2Cc3cc(cc(Cc4cc(cc(Cc5cc(cc(Cc6cc(cc(Cc(c1)c2O)c6O)C(C)(C)C)c5O)C(C)(C)C)c4O)C(C)(C)C)c3O)C(C)(C)C

Synonyms:

• Hexacyclo[25.3.1.1~3,7~.1~9,13~.1~15,19~.1~21,25~]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, 5,11,17,23,29-Pentakis(1,1-Dimethylethyl)-

4-tert-Butylcalix[5]arene

CAS: 81475-22-1

Formula: C₅₅H₇₀O₅

Purity: >98.0%(HPLC)

Color and Shape: White to Almost white powder to crystal

Molecular weight: 811.16

Ref: 3B-B2221

4-Tert-Butylcalix[5]Arene

CAS: 81475-22-1

4-Tert-Butylcalix[5]Arene

Formula: C₅₅H₇₀O₅

Purity: >98.0%

Molecular weight: 811.16

Ref: 54-OR1023355

4-tert-Butylcalix[5]arene

CAS: 81475-22-1

Formula: C₅₅H₇₀O₅

Purity: 95%

Color and Shape: Solid

Molecular weight: 811.1413

Ref: IN-DA003M1V

4-tert-Butylcalix[5]arene

CAS: 81475-22-1

4-tert-Butylcalix[5]arene

Formula: C₅₅H₇₀O₅

Purity: 95%

Molecular weight: 811.14

Ref: IN-DG100352

4-tert-Butylcalix[5]arene

CAS: 81475-22-1

4-tert-Butylcalix[5]arene is a hydrochloride salt that belongs to the class of calixarenes. It can be used as an amine receptor in molecular modeling and has been synthesized by stepwise reactions. The cavity of the molecule is capable of binding monoamine neurotransmitters, such as dopamine and serotonin, which are found in the brain. This cavity can also bind hydrogen ions, which may lead to photophysical activity. 4-tert-Butylcalix[5]arene has been shown to have nmr spectra consistent with a hydrogen bond between the phenolic hydroxyl group and one of its neighboring carbons on the ring.

Formula: C₅₅H₇₀O₅

Purity: Min. 96 Area-%

Color and Shape: Powder

Molecular weight: 811.14 g/mol

Ref: 3D-FT59574