193359-91-0

Basic information

• Product Name: Phenol, 2,6-bis[[2-hydroxy-4-methyl-5-(1-methylethyl)phenyl]methyl]-4-nitro-
• CAS NO: 193359-91-0
• Molecular Formula: C28H33NO5
• Molecular Weight: 463.574
• Mol File: 193359-91-0.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: Phenol, 2,6-bis[[2-hydroxy-4-methyl-5-(1-methylethyl)phenyl]methyl]-4-nitro-(CAS DataBase Reference)
• NIST Chemistry Reference: Phenol, 2,6-bis[[2-hydroxy-4-methyl-5-(1-methylethyl)phenyl]methyl]-4-nitro-(193359-91-0)
• EPA Substance Registry System: Phenol, 2,6-bis[[2-hydroxy-4-methyl-5-(1-methylethyl)phenyl]methyl]-4-nitro-(193359-91-0)

Safety Data

• Hazardous Substances Data: 193359-91-0(Hazardous Substances Data)

Upstream product

• 3228-02-2 3-Methyl-4-isopropylphenol 
• 98437-49-1 1,3-bis(bromomethyl)-4-nitrophenol 

Relevant articles and documents

The first acid constant of calix[4]arenes

A series of calix[4]arenes containing a single p-nitrophenol unit (or two p-nitrophenol units) have been synthesized by fragment condensation. Their first acid constant (pKa1) has been determined in 2-methoxyethanol-water (9:1) by optical titration. Relative to the corresponding linear trimers with a p-nitrophenol in the middle, a decrease of pKa1 by 2.1 units or more is observed, which can be explained entirely by intramolecular hydrogen bonds stabilising the monoanion. In this way electron-withdrawing p-substituents in the opposite phenolic unit lead to a further decrease in pKa1, while a distortion of the cone conformation by m-methyl groups causes a slight increase. The structure of one calix[4]arene was further confirmed by single crystal X-ray analysis showing the molecule in the usual cone conformation.