Succinobucol

Base Information

• Chemical Name: Succinobucol
• CAS No.: 216167-82-7
• Molecular Formula: C35H52 O5 S2
• Molecular Weight: 616.927
• UNII: J1J54V24R4
• DSSTox Substance ID: DTXSID10176003
• Nikkaji Number: J1.793.303E
• Wikidata: Q27095589
• NCI Thesaurus Code: C75299
• Metabolomics Workbench ID: 149458
• ChEMBL ID: CHEMBL83626
• Mol file: 216167-82-7.mol

Synonyms:AGI 1067;AGI-1067;AGI1067;succinobucol

Chemical Property of Succinobucol

Chemical Property:

• Vapor Pressure: 2.71E-18mmHg at 25°C
• Boiling Point: 659.5°Cat760mmHg
• PKA: 4.27±0.17(Predicted)
• Flash Point: 352.7°C
• PSA: 134.43000
• Density: 1.13g/cm³
• LogP: 9.97290
• Storage Temp.: 2-8°C
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 10.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 13
• Exact Mass: 616.32561710
• Heavy Atom Count: 42
• Complexity: 870

Purity/Quality:

98%Min ^*data from raw suppliers

Succinobucol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)SC(C)(C)SC2=CC(=C(C(=C2)C(C)(C)C)OC(=O)CCC(=O)O)C(C)(C)C
• Recent ClinicalTrials: ANDES-AGI-1067 as a Novel Antidiabetic Agent Evaluation Study
• Recent EU Clinical Trials: FOCUS - Follow up Of Clinical Outcomes: The Long-term AGI-1067 Plus Usual Care Study
• Uses: An antioxidant and anti-inflammatory.

Technology Process of Succinobucol

There total 6 articles about Succinobucol which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 50.0%

succinic acid anhydride (108-30-5) + (4,4'-isopropylidenedithio)bis[2,6-di-tert-butylphenol] (23288-49-5) → probucol monosuccinate (216167-82-7)

Guidance literature:

With sodium hydride; In tetrahydrofuran; mineral oil; at 0 - 20 ℃; Inert atmosphere;

Reference yield: 44.0%

succinic acid anhydride (108-30-5) + (4,4'-isopropylidenedithio)bis[2,6-di-tert-butylphenol] (23288-49-5) → probucol monosuccinate (216167-82-7) + AIf1 (216168-45-5)

Guidance literature:

With DBN; In acetonitrile; at 50 ℃; for 1h; Product distribution / selectivity;

Reference yield:

mono-succinylprobucol sodium salt → probucol monosuccinate (216167-82-7)

Guidance literature:

With hydrogenchloride; water; In toluene; at 20 - 50 ℃; for 0.25 - 4h; pH=0.6 - 8; Purification / work up;

upstream raw materials:

succinic acid anhydride

(4,4'-isopropylidenedithio)bis[2,6-di-tert-butylphenol]