1,4,7-Tritosyl-1,4,7-triazonane

Catalog Number	ACM52667897
CAS	52667-89-7
Structure
Description	1,4,7-Tritosyl-1,4,7-triazonane (TTA) is a synthetic compound composed of three trisyl radicals and a triazonane ring. TTA is a versatile and useful reagent for organic synthesis and is particularly useful for the preparation of highly reactive intermediates in the synthesis of organic compounds. TTA is often used as a catalyst in organic synthesis and can be used in a variety of applications, including the synthesis of heterocyclic compounds, pharmaceuticals, and natural products.
Synonyms	1,4,7-Tris-(toluene-4-sulfonyl)-[1,4,7]triazonane
IUPAC Name	1,4,7-tris-(4-methylphenyl)sulfonyl-1,4,7-triazonane
Molecular Weight	591.8 g/mol
Molecular Formula	C27H33N3O6S3
Canonical SMILES	CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)S(=O)(=O)C4=CC=C(C=C4)C
InChI	InChI=1S/C27H33N3O6S3/c1-22-4-10-25(11-5-22)37(31,32)28-16-18-29(38(33,34)26-12-6-23(2)7-13-26)20-21-30(19-17-28)39(35,36)27-14-8-24(3)9-15-27/h4-15H,16-21H2,1-3H3
InChI Key	BLZOXONTWBENEK-UHFFFAOYSA-N
Boiling Point	749.4±70.0 °C(Predicted)
Melting Point	222-224 °C
Purity	97%
Application	1,4,7-Tritosyl-1,4,7-triazonane has a variety of scientific applications. It is used in the synthesis of a variety of organic compounds, including heterocyclic compounds, pharmaceuticals, and natural products. 1,4,7-Tritosyl-1,4,7-triazonane is also used as a catalyst in organic synthesis and can be used to synthesize highly reactive intermediates. In addition, 1,4,7-Tritosyl-1,4,7-triazonane has been used in the synthesis of polymers, dyes, and surfactants.
Complexity	948
Covalently-Bonded Unit Count	1
EC Number	610-880-3
Exact Mass	591.15314930
Heavy Atom Count	39
Hydrogen Bond Acceptor Count	9
Hydrogen Bond Donor Count	0
Monoisotopic Mass	591.15314930
Properties	1,4,7-Tritosyl-1,4,7-triazonane has not been studied extensively for its biochemical and physiological effects. 1,4,7-Tritosyl-1,4,7-triazonane is not known to have any direct effects on humans or other animals. However, as 1,4,7-Tritosyl-1,4,7-triazonane is used in the synthesis of a variety of compounds, it is important to consider the potential effects of these compounds on the body.
Rotatable Bond Count	6
Topological Polar Surface Area	137 Ų