216167-82-7

Basic information

• Product Name: 4-[4-[2-(4-hydroxy-3,5-ditert-butyl-phenyl)sulfanylpropan-2-ylsulfanyl]-2,6-ditert-butyl-phenoxy]-4-oxo-butanoic acid
• Synonyms: SUCCINOBUCOL;Butanedioic Acid 1-[4-[[1-[[3,5-Bis(1,1-diMethylethyl)-4-hydroxyphenyl]thio]-1-Methylethyl]thio]-2,6-bis(1,1-diMethylethyl)phenyl] Ester;Probucol Monosuccinate;AGI 1067;4-(2,6-di-tert-butyl-4-(2-(3,5-di-tert-butyl-4-hydroxyphenylthio)propan-2-ylthio)phenoxy)-4-oxobutanoic acid
• CAS NO: 216167-82-7
• Molecular Formula: C₃₅H₅₂O₅S₂
• Molecular Weight: 616.91
• Product Categories: Aromatics;Intermediates & Fine Chemicals;Pharmaceuticals;Sulfur & Selenium Compounds
• Mol File: 216167-82-7.mol
• Article Data: 10

Chemical Properties

• Boiling Point: 659.5°Cat760mmHg
• Flash Point: 352.7°C
• Appearance: /
• Density: 1.13g/cm³
• Vapor Pressure: 2.71E-18mmHg at 25°C
• Refractive Index: 1.571
• Storage Temp.: 2-8°C
• Solubility: Chloroform (Slightly), Methanol (Slightly)
• PKA: 4.27±0.17(Predicted)
• CAS DataBase Reference: 4-[4-[2-(4-hydroxy-3,5-ditert-butyl-phenyl)sulfanylpropan-2-ylsulfanyl]-2,6-ditert-butyl-phenoxy]-4-oxo-butanoic acid(CAS DataBase Reference)
• NIST Chemistry Reference: 4-[4-[2-(4-hydroxy-3,5-ditert-butyl-phenyl)sulfanylpropan-2-ylsulfanyl]-2,6-ditert-butyl-phenoxy]-4-oxo-butanoic acid(216167-82-7)
• EPA Substance Registry System: 4-[4-[2-(4-hydroxy-3,5-ditert-butyl-phenyl)sulfanylpropan-2-ylsulfanyl]-2,6-ditert-butyl-phenoxy]-4-oxo-butanoic acid(216167-82-7)

Safety Data

• Hazardous Substances Data: 216167-82-7(Hazardous Substances Data)

Usage

Uses

An antioxidant and anti-inflammatory.

InChI:InChI=1/C35H52O5S2/c1-31(2,3)23-17-21(18-24(29(23)39)32(4,5)6)41-35(13,14)42-22-19-25(33(7,8)9)30(26(20-22)34(10,11)12)40-28(38)16-15-27(36)37/h17-20,39H,15-16H2,1-14H3,(H,36,37)

Upstream product

• 108-30-5 succinic acid anhydride 
• 23288-49-5 (4,4'-isopropylidenedithio)bis[2,6-di-tert-butylphenol] 

Relevant articles and documents

Novel phenolic antioxidants as multifunctional inhibitors of inducible VCAM-1 expression for use in atherosclerosis

A series of novel phenolic compounds has been discovered as potent inhibitors of TNF-α-inducible expression of vascular cell adhesion molecule-1 (VCAM-1) with concurrent antioxidant and lipid-modulating properties. Optimization of these multifunctional agents led to the identification of 3a (AGI-1067) as a clinical candidate with demonstrated efficacies in animal models of atherosclerosis and hyperlipidemia.

Efficient acylation and one-pot synthesis of dehydroandrographolide succinate on a large scale assisted with microwave radiation

A rapid and convenient method for acylation and large-scale synthesis of dehydroandrographolide succinate has been developed under microwave irradiation. It is a one-pot condensation and is compatible with dehydration and rearrangement of double bond in mild reaction conditions with good yield, high purity (up to 99.8%), time-savings, few pollutants and low cost. In addition, a number of acylation derivatives were synthesized under microwave irradiation.

PROCESS FOR THE SEPARATION OF PROBUCOL DERIVATIVES

Provided are methods for the separation of mono-substituted probucol derivatives from a mixture of both mono- and di-substituted probucol derivatives. In particular, methods are provided for the separation of mono-carboxy substituted probucol derivatives