CAS 110078-47-2

1,1′-[1,4-Phenylenebis(methylene)]bis[4,8,11-tris[(4-methylphenyl)sulfonyl]-1,4,8,11-tetraazacyclotetradecane

Description:

The chemical substance known as 1,1′-[1,4-Phenylenebis(methylene)]bis[4,8,11-tris[(4-methylphenyl)sulfonyl]-1,4,8,11-tetraazacyclotetradecane] (CAS number 110078-47-2) is a complex organic compound characterized by its intricate structure, which includes multiple functional groups and a tetraazacyclotetradecane framework. This compound features a phenylene group linked by methylene bridges, contributing to its stability and potential for forming coordination complexes. The presence of sulfonyl groups attached to the tetraazacyclotetradecane enhances its solubility and reactivity, making it suitable for various applications in coordination chemistry and materials science. Its unique architecture may also impart specific properties such as selective binding to metal ions or biological molecules. The compound's synthesis typically involves multi-step organic reactions, and its characterization can be performed using techniques such as NMR spectroscopy, mass spectrometry, and X-ray crystallography to elucidate its structural and electronic properties. Overall, this substance represents a significant interest in the fields of supramolecular chemistry and catalysis.

Formula: C₇₀H₉₀N₈O₁₂S₆

InChI: InChI=1S/C70H90N8O12S6/c1-57-11-27-65(28-12-57)91(79,80)73-43-9-45-77(95(87,88)69-35-19-61(5)20-36-69)53-51-75(93(83,84)67-31-15-59(3)16-32-67)41-7-39-71(47-49-73)55-63-23-25-64(26-24-63)56-72-40-8-42-76(94(85,86)68-33-17-60(4)18-34-68)52-54-78(96(89,90)70-37-21-62(6)22-38-70)46-10-44-74(50-48-72)92(81,82)66-29-13-58(2)14-30-66/h11-38H,7-10,39-56H2,1-6H3

InChI key: InChIKey=DSYDEHAVVVQGIK-UHFFFAOYSA-N

SMILES: S(=O)(=O)(N1CCN(S(=O)(=O)C2=CC=C(C)C=C2)CCCN(CC3=CC=C(CN4CCN(S(=O)(=O)C5=CC=C(C)C=C5)CCCN(S(=O)(=O)C6=CC=C(C)C=C6)CCN(S(=O)(=O)C7=CC=C(C)C=C7)CCC4)C=C3)CCN(S(=O)(=O)C8=CC=C(C)C=C8)CCC1)C9=CC=C(C)C=C9

Synonyms:

• 1,4,8,11-Tetraazacyclotetradecane, 1,1′-[1,4-phenylenebis(methylene)]bis[4,8,11-tris[(4-methylphenyl)sulfonyl]-
• 1,1′-[1,4-Phenylenebis(methylene)]bis[4,8,11-tris[(4-methylphenyl)sulfonyl]-1,4,8,11-tetraazacyclotetradecane

1,4-Bis((4,8,11-tritosyl-1,4,8,11-tetraazacyclotetradecan-1-yl)methyl)benzene

CAS: 110078-47-2

Formula: C₇₀H₉₀N₈O₁₂S₆

Color and Shape: Neat

Ref: TR-B576920

1,1'-[1,4-Phenylenebis(methylene)]bis[4,8,11-tris[(4-methylphenyl)sulfonyl]-1,4,8,11-tetraazacyclotetradecane

CAS: 110078-47-2

1,1'-[1,4-Phenylenebis(methylene)]bis[4,8,11-tris[(4-methylphenyl)sulfonyl]-1,4,8,11-tetraazacyclotetradecane] is a synthetic macrobicyclic cyclam derivative, which is a product of fine organic synthesis with metal ion complexation properties. This compound is engineered through the introduction of tosyl groups and a phenylenebis(methylene) linker, enhancing its ability to coordinate with metal ions through its nitrogen atoms.

Formula: C₇₀H₉₀N₈O₁₂S₆

Purity: Min. 95%

Molecular weight: 1,427.9 g/mol

Ref: 3D-KEA07847

Plerixafor Impurity 15

CAS: 110078-47-2

Formula: C₇₀H₉₀N₈O₁₂S₆

Molecular weight: 1427.89

Ref: ST-EA-CP-P68065